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

C99H87Cl4F8N7 — CID 158324440

IUPAC2-[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
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(C2(c3ccc(N)cc3)CCCCC2)cc1.Cc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2c(c1)Cc1cc(N)ccc1-2.Nc1ccccc1CCc1ccccc1N
InChIInChI=1S/C26H21N.C19H23N.C14H16N2.C14H13N.C13H9Cl4N.C13H5F8N/c1-18-10-12-19(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;1-15-5-7-16(8-6-15)19(13-3-2-4-14-19)17-9-11-18(20)12-10-17;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,27H2,1H3;5-12H,2-4,13-14,20H2,1H3;1-8H,9-10,15-16H2;2-6,8H,7,15H2,1H3;2-5H,18H2,1H3;22H2,1H3
InChIKeyGPFWIPDKKTXRIV-UHFFFAOYSA-N
MW1668.63 g/mol
LogP26.77
Rot. Bonds9

About 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

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 (PubChem CID 158324440) has the molecular formula C99H87Cl4F8N7 and a molecular weight of 1668.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158324440
Molecular FormulaC99H87Cl4F8N7
Molecular Weight1668.63 g/mol
Exact Mass1665.56
IUPAC Name2-[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
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(C2(c3ccc(N)cc3)CCCCC2)cc1.Cc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2c(c1)Cc1cc(N)ccc1-2.Nc1ccccc1CCc1ccccc1N
InChIInChI=1S/C26H21N.C19H23N.C14H16N2.C14H13N.C13H9Cl4N.C13H5F8N/c1-18-10-12-19(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;1-15-5-7-16(8-6-15)19(13-3-2-4-14-19)17-9-11-18(20)12-10-17;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,27H2,1H3;5-12H,2-4,13-14,20H2,1H3;1-8H,9-10,15-16H2;2-6,8H,7,15H2,1H3;2-5H,18H2,1H3;22H2,1H3
InChIKeyGPFWIPDKKTXRIV-UHFFFAOYSA-N
XLogP26.77
TPSA182.14 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.63
LogP ≤ 526.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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
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
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
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
CID 161481336
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
ethane;4-methyl-9,9-bis(4-methylphenyl)fluorene
CID 144938887
2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 157309373
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(C2(c3ccc(N)cc3)CCCCC2)cc1.Cc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc2c(c1)Cc1cc(N)ccc1-2.Nc1ccccc1CCc1ccccc1N.
What is the InChIKey of 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?
The InChIKey is GPFWIPDKKTXRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N.C19H23N.C14H16N2.C14H13N.C13H9Cl4N.C13H5F8N/c1-18-10-12-19(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;1-15-5-7-16(8-6-15)19(13-3-2-4-14-19)17-9-11-18(20)12-10-17;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,27H2,1H3;5-12H,2-4,13-14,20H2,1H3;1-8H,9-10,15-16H2;2-6,8H,7,15H2,1H3;2-5H,18H2,1H3;22H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1668.63 g/mol, XLogP of 26.77, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158324440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).