3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline

C214H191Cl4F14N13O10S — CID 162103598

IUPAC3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline
SMILESCc1c(F)c(F)c(-c2c(F)c(F)c(N)c(F)c2F)c(F)c1F.Cc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N)cc3)cc2)cc1.Cc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1.Cc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1.Cc1ccc2c(c1)Cc1cc(N)ccc1-2.Cc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1.Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1.Nc1ccccc1CCc1ccccc1N
InChIInChI=1S/C28H21F6NO2.C26H21N.C25H21NO4S.C25H29N.C19H17NO2.C19H23N.C18H16N2O2.C14H16N2.C14H13N.C13H9Cl4N.C13H5F8N/c1-18-2-10-22(11-3-18)36-23-12-4-19(5-13-23)26(27(29,30)31,28(32,33)34)20-6-14-24(15-7-20)37-25-16-8-21(35)9-17-25;1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-18-4-2-6-22(16-18)29-20-8-12-24(13-9-20)31(27,28)25-14-10-21(11-15-25)30-23-7-3-5-19(26)17-23;1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4,5)22-14-16-23(26)17-15-22;1-14-5-9-16(10-6-14)21-18-3-2-4-19(13-18)22-17-11-7-15(20)8-12-17;1-15-5-7-16(8-6-15)19(13-3-2-4-14-19)17-9-11-18(20)12-10-17;19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16;15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;1-9-2-4-13-10(6-9)7-11-8-12(15)3-5-14(11)13;1-6-2-10(15)7(3-9(6)14)8-4-12(17)13(18)5-11(8)16;1-2-5(14)7(16)3(8(17)6(2)15)4-9(18)11(20)13(22)12(21)10(4)19/h2-17H,35H2,1H3;2-17H,27H2,1H3;2-17H,26H2,1H3;6-17H,26H2,1-5H3;2-13H,20H2,1H3;5-12H,2-4,13-14,20H2,1H3;1-12H,19-20H2;1-8H,9-10,15-16H2;2-6,8H,7,15H2,1H3;2-5H,18H2,1H3;22H2,1H3
InChIKeyZFFFDXQJUBJBGI-UHFFFAOYSA-N
MW3544.81 g/mol
LogP57.16
Rot. Bonds33

About 3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline

3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline (PubChem CID 162103598) has the molecular formula C214H191Cl4F14N13O10S and a molecular weight of 3544.81 g/mol. Its IUPAC name is 3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline.

Molecular Properties

Compound Name3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline
PubChem CID162103598
Molecular FormulaC214H191Cl4F14N13O10S
Molecular Weight3544.81 g/mol
Exact Mass3540.31
IUPAC Name3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline
SMILESCc1c(F)c(F)c(-c2c(F)c(F)c(N)c(F)c2F)c(F)c1F.Cc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N)cc3)cc2)cc1.Cc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1.Cc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1.Cc1ccc2c(c1)Cc1cc(N)ccc1-2.Cc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1.Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1.Nc1ccccc1CCc1ccccc1N
InChIInChI=1S/C28H21F6NO2.C26H21N.C25H21NO4S.C25H29N.C19H17NO2.C19H23N.C18H16N2O2.C14H16N2.C14H13N.C13H9Cl4N.C13H5F8N/c1-18-2-10-22(11-3-18)36-23-12-4-19(5-13-23)26(27(29,30)31,28(32,33)34)20-6-14-24(15-7-20)37-25-16-8-21(35)9-17-25;1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-18-4-2-6-22(16-18)29-20-8-12-24(13-9-20)31(27,28)25-14-10-21(11-15-25)30-23-7-3-5-19(26)17-23;1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4,5)22-14-16-23(26)17-15-22;1-14-5-9-16(10-6-14)21-18-3-2-4-19(13-18)22-17-11-7-15(20)8-12-17;1-15-5-7-16(8-6-15)19(13-3-2-4-14-19)17-9-11-18(20)12-10-17;19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16;15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;1-9-2-4-13-10(6-9)7-11-8-12(15)3-5-14(11)13;1-6-2-10(15)7(3-9(6)14)8-4-12(17)13(18)5-11(8)16;1-2-5(14)7(16)3(8(17)6(2)15)4-9(18)11(20)13(22)12(21)10(4)19/h2-17H,35H2,1H3;2-17H,27H2,1H3;2-17H,26H2,1H3;6-17H,26H2,1-5H3;2-13H,20H2,1H3;5-12H,2-4,13-14,20H2,1H3;1-12H,19-20H2;1-8H,9-10,15-16H2;2-6,8H,7,15H2,1H3;2-5H,18H2,1H3;22H2,1H3
InChIKeyZFFFDXQJUBJBGI-UHFFFAOYSA-N
XLogP57.16
TPSA446.24 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003544.81
LogP ≤ 557.16
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;7-methyl-9H-fluoren-2-amine;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline
CID 158324440
5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline
CID 157130679
1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene;1-methyl-4-[3-[3-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-(4-methylphenoxy)-3-[3-(4-methylphenoxy)phenyl]sulfonylbenzene
CID 159261526
9,9-bis(4-methylphenyl)fluorene;bis(4-methylphenyl)methanone;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,4-xylene
CID 158075946
3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline
CID 162169591
1-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-methylbenzene
CID 135215267
9,9-bis(4-methylphenyl)fluorene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1,3-xylene;1,4-xylene
CID 159722596
4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline
CID 159249581
1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;9,9-bis(4-methylphenyl)fluorene;5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(4-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-[(3,4,5-trimethylphenyl)methyl]benzene;1,4-xylene
CID 159729164
9,9-bis(3,4-dimethylphenyl)fluorene;9,9-bis(4-methylphenyl)fluorene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 161144042
2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione
CID 171048409
1-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 59008627

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline?
The IUPAC name of 3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline (CID 162103598) is 3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline.
What is the SMILES notation for 3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline?
The canonical SMILES for 3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline is Cc1c(F)c(F)c(-c2c(F)c(F)c(N)c(F)c2F)c(F)c1F.Cc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N)cc3)cc2)cc1.Cc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1.Cc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1.Cc1ccc2c(c1)Cc1cc(N)ccc1-2.Cc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1.Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1.Nc1ccccc1CCc1ccccc1N.
What is the InChIKey of 3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline?
The InChIKey is ZFFFDXQJUBJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F6NO2.C26H21N.C25H21NO4S.C25H29N.C19H17NO2.C19H23N.C18H16N2O2.C14H16N2.C14H13N.C13H9Cl4N.C13H5F8N/c1-18-2-10-22(11-3-18)36-23-12-4-19(5-13-23)26(27(29,30)31,28(32,33)34)20-6-14-24(15-7-20)37-25-16-8-21(35)9-17-25;1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-18-4-2-6-22(16-18)29-20-8-12-24(13-9-20)31(27,28)25-14-10-21(11-15-25)30-23-7-3-5-19(26)17-23;1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4,5)22-14-16-23(26)17-15-22;1-14-5-9-16(10-6-14)21-18-3-2-4-19(13-18)22-17-11-7-15(20)8-12-17;1-15-5-7-16(8-6-15)19(13-3-2-4-14-19)17-9-11-18(20)12-10-17;19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16;15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;1-9-2-4-13-10(6-9)7-11-8-12(15)3-5-14(11)13;1-6-2-10(15)7(3-9(6)14)8-4-12(17)13(18)5-11(8)16;1-2-5(14)7(16)3(8(17)6(2)15)4-9(18)11(20)13(22)12(21)10(4)19/h2-17H,35H2,1H3;2-17H,27H2,1H3;2-17H,26H2,1H3;6-17H,26H2,1-5H3;2-13H,20H2,1H3;5-12H,2-4,13-14,20H2,1H3;1-12H,19-20H2;1-8H,9-10,15-16H2;2-6,8H,7,15H2,1H3;2-5H,18H2,1H3;22H2,1H3.
What are the key properties of 3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline?
3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline has a molecular weight of 3544.81 g/mol, XLogP of 57.16, 33 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminophenoxy)phenoxy]aniline;2-[2-(2-aminophenyl)ethyl]aniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]aniline;4-[1-(4-methylphenyl)cyclohexyl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline is sourced from PubChem (CID 162103598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).