[2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine

C21H19Cl2N — CID 166447795

IUPAC[2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3Cl)c2CN)c(Cl)c1
InChIInChI=1S/C21H19Cl2N/c1-13-6-8-17(20(22)10-13)15-4-3-5-16(19(15)12-24)18-9-7-14(2)11-21(18)23/h3-11H,12,24H2,1-2H3
InChIKeyUVVQDBVNDONYSU-UHFFFAOYSA-N
MW356.30 g/mol
LogP6.40
Rot. Bonds3

About [2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine

[2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine (PubChem CID 166447795) has the molecular formula C21H19Cl2N and a molecular weight of 356.30 g/mol. Its IUPAC name is [2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine
PubChem CID166447795
Molecular FormulaC21H19Cl2N
Molecular Weight356.30 g/mol
Exact Mass355.09
IUPAC Name[2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3Cl)c2CN)c(Cl)c1
InChIInChI=1S/C21H19Cl2N/c1-13-6-8-17(20(22)10-13)15-4-3-5-16(19(15)12-24)18-9-7-14(2)11-21(18)23/h3-11H,12,24H2,1-2H3
InChIKeyUVVQDBVNDONYSU-UHFFFAOYSA-N
XLogP6.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine 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

6-(2-chloro-4-methylphenyl)pyridin-2-amine
CID 165447815
ethane;ethyl 2-(2-chloro-4-methylphenyl)benzoate
CID 143972666
1-(2-but-2-ynylphenyl)-2-chloro-4-methylbenzene
CID 154970944
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine
CID 114879926
1,2-dichloro-4-methylbenzene;1,3-xylene
CID 158244707
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 106857196
4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
CID 53226634
6-(2-chloro-4-methylphenyl)pyridin-3-amine
CID 144687572
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
2-(2-chloro-3-methylphenyl)-5-methylaniline
CID 171393531
2-(3-chloro-2-methylphenyl)-4-methylphenol
CID 159941781

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine?
The IUPAC name of [2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine (CID 166447795) is [2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine.
What is the SMILES notation for [2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine?
The canonical SMILES for [2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine is Cc1ccc(-c2cccc(-c3ccc(C)cc3Cl)c2CN)c(Cl)c1.
What is the InChIKey of [2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine?
The InChIKey is UVVQDBVNDONYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N/c1-13-6-8-17(20(22)10-13)15-4-3-5-16(19(15)12-24)18-9-7-14(2)11-21(18)23/h3-11H,12,24H2,1-2H3.
What are the key properties of [2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine?
[2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine has a molecular weight of 356.30 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(2-chloro-4-methylphenyl)phenyl]methanamine is sourced from PubChem (CID 166447795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).