[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine

C15H16ClNO2 — CID 81299924

IUPAC[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(Oc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C15H16ClNO2/c1-10-7-13(5-6-14(10)16)19-15-8-12(18-2)4-3-11(15)9-17/h3-8H,9,17H2,1-2H3
InChIKeyWBZQVKOOIVWTAY-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.91
Rot. Bonds4

About [2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine

[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine (PubChem CID 81299924) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
PubChem CID81299924
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(Oc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C15H16ClNO2/c1-10-7-13(5-6-14(10)16)19-15-8-12(18-2)4-3-11(15)9-17/h3-8H,9,17H2,1-2H3
InChIKeyWBZQVKOOIVWTAY-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-chloro-3-methylphenoxy)-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

[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
[2-(5-fluoro-2-methylphenoxy)-4-methoxyphenyl]methanamine
CID 102980112
[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
CID 81298813
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
CID 163498648
(4-methoxy-2-pyridin-3-yloxyphenyl)methanamine
CID 81299641
[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine
CID 107655066

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine (CID 81299924) is [2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine is COc1ccc(CN)c(Oc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of [2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine?
The InChIKey is WBZQVKOOIVWTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-7-13(5-6-14(10)16)19-15-8-12(18-2)4-3-11(15)9-17/h3-8H,9,17H2,1-2H3.
What are the key properties of [2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine?
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine has a molecular weight of 277.75 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 81299924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).