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

C15H16ClNO — CID 106856981

IUPAC(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C15H16ClNO/c1-10-3-8-13(14(16)9-10)15(17)11-4-6-12(18-2)7-5-11/h3-9,15H,17H2,1-2H3
InChIKeyFRQMXKPPRAKVQL-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.71
Rot. Bonds3

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

(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine (PubChem CID 106856981) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
PubChem CID106856981
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C15H16ClNO/c1-10-3-8-13(14(16)9-10)15(17)11-4-6-12(18-2)7-5-11/h3-9,15H,17H2,1-2H3
InChIKeyFRQMXKPPRAKVQL-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

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Related Compounds

(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421
(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 81109542
(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
CID 79016093
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106863705
(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 106858983
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
(2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 106857827
1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 22151238

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine (CID 106856981) is (2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(C)cc2Cl)cc1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine?
The InChIKey is FRQMXKPPRAKVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-3-8-13(14(16)9-10)15(17)11-4-6-12(18-2)7-5-11/h3-9,15H,17H2,1-2H3.
What are the key properties of (2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine?
(2-chloro-4-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 (2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 106856981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).