(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine

C15H16ClNO — CID 79016093

IUPAC(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C15H16ClNO/c1-10-3-6-12(16)9-14(10)15(17)11-4-7-13(18-2)8-5-11/h3-9,15H,17H2,1-2H3
InChIKeyPXUGFZJSQLGVBH-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.71
Rot. Bonds3

About (5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine

(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine (PubChem CID 79016093) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
PubChem CID79016093
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C15H16ClNO/c1-10-3-6-12(16)9-14(10)15(17)11-4-7-13(18-2)8-5-11/h3-9,15H,17H2,1-2H3
InChIKeyPXUGFZJSQLGVBH-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-chloro-2-methylphenyl)-(4-methoxyphenyl)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

(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine
CID 115853390
(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82883361
(4-methoxyphenyl)-(2-methylphenyl)methanamine
CID 24688459
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine
CID 114028288
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171251371
(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine
CID 43120935
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171250333
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine (CID 79016093) is (5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc(Cl)ccc2C)cc1.
What is the InChIKey of (5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine?
The InChIKey is PXUGFZJSQLGVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-3-6-12(16)9-14(10)15(17)11-4-7-13(18-2)8-5-11/h3-9,15H,17H2,1-2H3.
What are the key properties of (5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine?
(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine has a molecular weight of 261.75 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 79016093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).