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

C121H121N11 — CID 159164219

IUPAC3-[[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
SMILESCc1ccc(Cc2ccc(Cc3ccc(N)cc3)cc2)cc1.Nc1ccc(Cc2ccc(Cc3cccc(N)c3)cc2)cc1.Nc1ccc(Cc2cccc(Cc3ccc(N)cc3)c2)cc1.Nc1ccc(Cc2cccc(Cc3cccc(N)c3)c2)cc1.Nc1cccc(Cc2ccc(Cc3cccc(N)c3)cc2)c1.Nc1cccc(Cc2cccc(Cc3cccc(N)c3)c2)c1
InChIInChI=1S/C21H21N.5C20H20N2/c1-16-2-4-17(5-3-16)14-18-6-8-19(9-7-18)15-20-10-12-21(22)13-11-20;21-19-8-2-6-17(13-19)11-15-4-1-5-16(10-15)12-18-7-3-9-20(22)14-18;21-19-5-1-3-17(13-19)11-15-7-9-16(10-8-15)12-18-4-2-6-20(22)14-18;21-19-9-7-15(8-10-19)11-16-3-1-4-17(12-16)13-18-5-2-6-20(22)14-18;21-19-8-4-15(5-9-19)12-17-2-1-3-18(14-17)13-16-6-10-20(22)11-7-16;21-19-10-8-17(9-11-19)12-15-4-6-16(7-5-15)13-18-2-1-3-20(22)14-18/h2-13H,14-15,22H2,1H3;2*1-10,13-14H,11-12,21-22H2;1-10,12,14H,11,13,21-22H2;2*1-11,14H,12-13,21-22H2
InChIKeyKKWGDSVUCAQFRO-UHFFFAOYSA-N
MW1729.38 g/mol
LogP24.92
Rot. Bonds24

About 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

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 (PubChem CID 159164219) has the molecular formula C121H121N11 and a molecular weight of 1729.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID159164219
Molecular FormulaC121H121N11
Molecular Weight1729.38 g/mol
Exact Mass1727.98
IUPAC Name3-[[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
SMILESCc1ccc(Cc2ccc(Cc3ccc(N)cc3)cc2)cc1.Nc1ccc(Cc2ccc(Cc3cccc(N)c3)cc2)cc1.Nc1ccc(Cc2cccc(Cc3ccc(N)cc3)c2)cc1.Nc1ccc(Cc2cccc(Cc3cccc(N)c3)c2)cc1.Nc1cccc(Cc2ccc(Cc3cccc(N)c3)cc2)c1.Nc1cccc(Cc2cccc(Cc3cccc(N)c3)c2)c1
InChIInChI=1S/C21H21N.5C20H20N2/c1-16-2-4-17(5-3-16)14-18-6-8-19(9-7-18)15-20-10-12-21(22)13-11-20;21-19-8-2-6-17(13-19)11-15-4-1-5-16(10-15)12-18-7-3-9-20(22)14-18;21-19-5-1-3-17(13-19)11-15-7-9-16(10-8-15)12-18-4-2-6-20(22)14-18;21-19-9-7-15(8-10-19)11-16-3-1-4-17(12-16)13-18-5-2-6-20(22)14-18;21-19-8-4-15(5-9-19)12-17-2-1-3-18(14-17)13-16-6-10-20(22)11-7-16;21-19-10-8-17(9-11-19)12-15-4-6-16(7-5-15)13-18-2-1-3-20(22)14-18/h2-13H,14-15,22H2,1H3;2*1-10,13-14H,11-12,21-22H2;1-10,12,14H,11,13,21-22H2;2*1-11,14H,12-13,21-22H2
InChIKeyKKWGDSVUCAQFRO-UHFFFAOYSA-N
XLogP24.92
TPSA286.22 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001729.38
LogP ≤ 524.92
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

aniline;1-benzyl-4-methylbenzene;1,4-xylene
CID 158888282
3-[[4-(2-aminoethyl)phenyl]methyl]aniline
CID 142409783
5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine
CID 144764080
4-ethylaniline;methane;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 157414016
4-[(3-aminophenyl)methyl]benzene-1,2-diamine;trihydrochloride
CID 18353599
4-[(3-propan-2-ylphenyl)methyl]aniline
CID 123873947
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
7-azabicyclo[4.1.0]hepta-1,3,5-triene;3-benzylaniline;bicyclo[4.1.0]hepta-1,3,5-triene;toluene
CID 145299691
3-[(2-methylphenyl)methyl]aniline
CID 116925822
4-[[4-amino-3-[[3-amino-5-[(3-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]-2-methylaniline
CID 130251815
1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one
CID 163630604
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-methylphenyl]methyl]-2-methylphenyl]methyl]phenyl]methyl]aniline
CID 22920657

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(Cc2ccc(Cc3ccc(N)cc3)cc2)cc1.Nc1ccc(Cc2ccc(Cc3cccc(N)c3)cc2)cc1.Nc1ccc(Cc2cccc(Cc3ccc(N)cc3)c2)cc1.Nc1ccc(Cc2cccc(Cc3cccc(N)c3)c2)cc1.Nc1cccc(Cc2ccc(Cc3cccc(N)c3)cc2)c1.Nc1cccc(Cc2cccc(Cc3cccc(N)c3)c2)c1.
What is the InChIKey of 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?
The InChIKey is KKWGDSVUCAQFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N.5C20H20N2/c1-16-2-4-17(5-3-16)14-18-6-8-19(9-7-18)15-20-10-12-21(22)13-11-20;21-19-8-2-6-17(13-19)11-15-4-1-5-16(10-15)12-18-7-3-9-20(22)14-18;21-19-5-1-3-17(13-19)11-15-7-9-16(10-8-15)12-18-4-2-6-20(22)14-18;21-19-9-7-15(8-10-19)11-16-3-1-4-17(12-16)13-18-5-2-6-20(22)14-18;21-19-8-4-15(5-9-19)12-17-2-1-3-18(14-17)13-16-6-10-20(22)11-7-16;21-19-10-8-17(9-11-19)12-15-4-6-16(7-5-15)13-18-2-1-3-20(22)14-18/h2-13H,14-15,22H2,1H3;2*1-10,13-14H,11-12,21-22H2;1-10,12,14H,11,13,21-22H2;2*1-11,14H,12-13,21-22H2.
What are the key properties of 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?
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 has a molecular weight of 1729.38 g/mol, XLogP of 24.92, 24 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159164219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).