(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine

C17H20ClN — CID 104990516

IUPAC(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(Cl)c(C)c2)cc1C
InChIInChI=1S/C17H20ClN/c1-10-7-12(3)15(9-11(10)2)17(19)14-5-6-16(18)13(4)8-14/h5-9,17H,19H2,1-4H3
InChIKeyQMUZRSNISCCMDY-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.62
Rot. Bonds2

About (4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine

(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 104990516) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID104990516
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(Cl)c(C)c2)cc1C
InChIInChI=1S/C17H20ClN/c1-10-7-12(3)15(9-11(10)2)17(19)14-5-6-16(18)13(4)8-14/h5-9,17H,19H2,1-4H3
InChIKeyQMUZRSNISCCMDY-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)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

(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
CID 115828038
(4-chloro-3-methylphenyl)-phenylmethanamine
CID 71247470
(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 64990399
(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
CID 43629765
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 114330259
(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105006873
(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990701
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
CID 55274034
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 82875568

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine (CID 104990516) is (4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2ccc(Cl)c(C)c2)cc1C.
What is the InChIKey of (4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is QMUZRSNISCCMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-10-7-12(3)15(9-11(10)2)17(19)14-5-6-16(18)13(4)8-14/h5-9,17H,19H2,1-4H3.
What are the key properties of (4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine?
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 273.81 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 104990516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).