(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

C17H20ClNO — CID 106858983

IUPAC(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2ccc(C)cc2Cl)ccc(C)c1C
InChIInChI=1S/C17H20ClNO/c1-10-5-7-13(15(18)9-10)16(19)14-8-6-11(2)12(3)17(14)20-4/h5-9,16H,19H2,1-4H3
InChIKeyJFENMVXVYDQCAF-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.32
Rot. Bonds3

About (2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (PubChem CID 106858983) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
PubChem CID106858983
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2ccc(C)cc2Cl)ccc(C)c1C
InChIInChI=1S/C17H20ClNO/c1-10-5-7-13(15(18)9-10)16(19)14-8-6-11(2)12(3)17(14)20-4/h5-9,16H,19H2,1-4H3
InChIKeyJFENMVXVYDQCAF-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103435334
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
(2-methoxy-3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 103433515
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433807
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(2,6-dimethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 107503056
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 106861105
1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433505
(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433757

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The IUPAC name of (2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (CID 106858983) is (2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The canonical SMILES for (2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is COc1c(C(N)c2ccc(C)cc2Cl)ccc(C)c1C.
What is the InChIKey of (2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The InChIKey is JFENMVXVYDQCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-10-5-7-13(15(18)9-10)16(19)14-8-6-11(2)12(3)17(14)20-4/h5-9,16H,19H2,1-4H3.
What are the key properties of (2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine has a molecular weight of 289.81 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 106858983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).