(4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine

C15H16ClNO — CID 114028288

IUPAC(4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H16ClNO/c1-10-8-12(16)6-7-14(10)15(17)11-4-3-5-13(9-11)18-2/h3-9,15H,17H2,1-2H3
InChIKeyISKWCJKBZPVHEE-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.71
Rot. Bonds3

About (4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine

(4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine (PubChem CID 114028288) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine
PubChem CID114028288
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H16ClNO/c1-10-8-12(16)6-7-14(10)15(17)11-4-3-5-13(9-11)18-2/h3-9,15H,17H2,1-2H3
InChIKeyISKWCJKBZPVHEE-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

(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
CID 105086338
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(3-fluoro-4-methylphenyl)-(3-methoxyphenyl)methanamine
CID 60819510
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43197723
(1R)-N-[1-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382583
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
CID 79016093
(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 115785913
[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561286
(R)-(4-chloro-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171250333
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine?
The IUPAC name of (4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine (CID 114028288) is (4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine?
The canonical SMILES for (4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2ccc(Cl)cc2C)c1.
What is the InChIKey of (4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine?
The InChIKey is ISKWCJKBZPVHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-8-12(16)6-7-14(10)15(17)11-4-3-5-13(9-11)18-2/h3-9,15H,17H2,1-2H3.
What are the key properties of (4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine?
(4-chloro-2-methylphenyl)-(3-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 (4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 114028288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).