3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline

C140H154N6O6 — CID 159353900

IUPAC3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline
SMILESCc1cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(N)c(C)c3)cc2)cc(C)c1C.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N)cc3)cc2)cc1.Cc1ccc(Cc2ccc(Cc3cccc(N)c3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(N)cc3)cc2)cc1.Cc1cccc(OCC(C)(C)COc2cccc(N)c2)c1.Cc1cccc(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1
InChIInChI=1S/C29H37N.C28H27NO2.C25H29N.C21H21N.C19H17NO2.C18H23NO2/c1-18-14-25(15-19(2)22(18)5)28(6,7)23-10-12-24(13-11-23)29(8,9)26-16-20(3)27(30)21(4)17-26;1-20-6-4-8-26(18-20)30-24-14-10-21(11-15-24)28(2,3)22-12-16-25(17-13-22)31-27-9-5-7-23(29)19-27;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;1-16-5-7-17(8-6-16)13-18-9-11-19(12-10-18)14-20-3-2-4-21(22)15-20;1-14-2-6-16(7-3-14)21-18-10-12-19(13-11-18)22-17-8-4-15(20)5-9-17;1-14-6-4-8-16(10-14)20-12-18(2,3)13-21-17-9-5-7-15(19)11-17/h10-17H,30H2,1-9H3;4-19H,29H2,1-3H3;6-17H,26H2,1-5H3;2-12,15H,13-14,22H2,1H3;2-13H,20H2,1H3;4-11H,12-13,19H2,1-3H3
InChIKeyLHRDHFLPZZFMHC-UHFFFAOYSA-N
MW2016.81 g/mol
LogP35.16
Rot. Bonds28

About 3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline

3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline (PubChem CID 159353900) has the molecular formula C140H154N6O6 and a molecular weight of 2016.81 g/mol. Its IUPAC name is 3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline.

Molecular Properties

Compound Name3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline
PubChem CID159353900
Molecular FormulaC140H154N6O6
Molecular Weight2016.81 g/mol
Exact Mass2015.19
IUPAC Name3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline
SMILESCc1cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(N)c(C)c3)cc2)cc(C)c1C.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N)cc3)cc2)cc1.Cc1ccc(Cc2ccc(Cc3cccc(N)c3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(N)cc3)cc2)cc1.Cc1cccc(OCC(C)(C)COc2cccc(N)c2)c1.Cc1cccc(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1
InChIInChI=1S/C29H37N.C28H27NO2.C25H29N.C21H21N.C19H17NO2.C18H23NO2/c1-18-14-25(15-19(2)22(18)5)28(6,7)23-10-12-24(13-11-23)29(8,9)26-16-20(3)27(30)21(4)17-26;1-20-6-4-8-26(18-20)30-24-14-10-21(11-15-24)28(2,3)22-12-16-25(17-13-22)31-27-9-5-7-23(29)19-27;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;1-16-5-7-17(8-6-16)13-18-9-11-19(12-10-18)14-20-3-2-4-21(22)15-20;1-14-2-6-16(7-3-14)21-18-10-12-19(13-11-18)22-17-8-4-15(20)5-9-17;1-14-6-4-8-16(10-14)20-12-18(2,3)13-21-17-9-5-7-15(19)11-17/h10-17H,30H2,1-9H3;4-19H,29H2,1-3H3;6-17H,26H2,1-5H3;2-12,15H,13-14,22H2,1H3;2-13H,20H2,1H3;4-11H,12-13,19H2,1-3H3
InChIKeyLHRDHFLPZZFMHC-UHFFFAOYSA-N
XLogP35.16
TPSA211.50 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002016.81
LogP ≤ 535.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]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

3-[4-[2-[4-[2-[4-(3-aminophenoxy)-3,5-dimethylphenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]aniline
CID 22402603
3-[[3-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 159164219
2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine
CID 54233286
1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide
CID 165041948
benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene
CID 159682951
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,2,3-trimethyl-5-[2-(3,4,5-trimethylphenyl)propan-2-yl]benzene;1,3-xylene;1,4-xylene
CID 159876961
carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium
CID 160988336
1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene
CID 68643436
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
CID 160813980

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline?
The IUPAC name of 3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline (CID 159353900) is 3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline.
What is the SMILES notation for 3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline?
The canonical SMILES for 3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline is Cc1cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(N)c(C)c3)cc2)cc(C)c1C.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N)cc3)cc2)cc1.Cc1ccc(Cc2ccc(Cc3cccc(N)c3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(N)cc3)cc2)cc1.Cc1cccc(OCC(C)(C)COc2cccc(N)c2)c1.Cc1cccc(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1.
What is the InChIKey of 3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline?
The InChIKey is LHRDHFLPZZFMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N.C28H27NO2.C25H29N.C21H21N.C19H17NO2.C18H23NO2/c1-18-14-25(15-19(2)22(18)5)28(6,7)23-10-12-24(13-11-23)29(8,9)26-16-20(3)27(30)21(4)17-26;1-20-6-4-8-26(18-20)30-24-14-10-21(11-15-24)28(2,3)22-12-16-25(17-13-22)31-27-9-5-7-23(29)19-27;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;1-16-5-7-17(8-6-16)13-18-9-11-19(12-10-18)14-20-3-2-4-21(22)15-20;1-14-2-6-16(7-3-14)21-18-10-12-19(13-11-18)22-17-8-4-15(20)5-9-17;1-14-6-4-8-16(10-14)20-12-18(2,3)13-21-17-9-5-7-15(19)11-17/h10-17H,30H2,1-9H3;4-19H,29H2,1-3H3;6-17H,26H2,1-5H3;2-12,15H,13-14,22H2,1H3;2-13H,20H2,1H3;4-11H,12-13,19H2,1-3H3.
What are the key properties of 3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline?
3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline has a molecular weight of 2016.81 g/mol, XLogP of 35.16, 28 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline is sourced from PubChem (CID 159353900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).