[5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine

C15H16ClNO — CID 171919569

IUPAC[5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine
SMILESCOc1c(C)cc(-c2cccc(Cl)c2)cc1CN
InChIInChI=1S/C15H16ClNO/c1-10-6-12(7-13(9-17)15(10)18-2)11-4-3-5-14(16)8-11/h3-8H,9,17H2,1-2H3
InChIKeyRBEFTBPYOCWEOU-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.78
Rot. Bonds3

About [5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine

[5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine (PubChem CID 171919569) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine
PubChem CID171919569
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name[5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine
SMILESCOc1c(C)cc(-c2cccc(Cl)c2)cc1CN
InChIInChI=1S/C15H16ClNO/c1-10-6-12(7-13(9-17)15(10)18-2)11-4-3-5-14(16)8-11/h3-8H,9,17H2,1-2H3
InChIKeyRBEFTBPYOCWEOU-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-chlorophenyl)-2-methylphenyl]methanamine
CID 115038622
[5-(4-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224816
[5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 82106998
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
CID 66160491
[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224806
(2-chloro-3-methoxy-4-methylphenyl)methanamine
CID 83828901
4-(3-chlorophenyl)-2-methoxyaniline
CID 164513717
5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene
CID 123222011
4-(3-chlorophenyl)-2-methylfuran
CID 69479564
O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 83700383

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine?
The IUPAC name of [5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine (CID 171919569) is [5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine.
What is the SMILES notation for [5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine?
The canonical SMILES for [5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine is COc1c(C)cc(-c2cccc(Cl)c2)cc1CN.
What is the InChIKey of [5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine?
The InChIKey is RBEFTBPYOCWEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-6-12(7-13(9-17)15(10)18-2)11-4-3-5-14(16)8-11/h3-8H,9,17H2,1-2H3.
What are the key properties of [5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine?
[5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine has a molecular weight of 261.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine is sourced from PubChem (CID 171919569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).