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

C16H18ClNO2 — CID 62671085

IUPAC[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1COc1ccc(C)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-11-3-5-16(14(17)7-11)20-10-13-8-12(9-18)4-6-15(13)19-2/h3-8H,9-10,18H2,1-2H3
InChIKeyCVZBAECXMVEXMS-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.69
Rot. Bonds5

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

[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine (PubChem CID 62671085) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is [3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
PubChem CID62671085
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1COc1ccc(C)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-11-3-5-16(14(17)7-11)20-10-13-8-12(9-18)4-6-15(13)19-2/h3-8H,9-10,18H2,1-2H3
InChIKeyCVZBAECXMVEXMS-UHFFFAOYSA-N
XLogP3.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate
CID 170885623
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 170868758
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
[3-chloro-4-[(3,5-dimethylphenyl)methoxy]phenyl]methanamine
CID 54983856
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
CID 65338310
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 105370190
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62018565
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine (CID 62671085) is [3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1COc1ccc(C)cc1Cl.
What is the InChIKey of [3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine?
The InChIKey is CVZBAECXMVEXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-3-5-16(14(17)7-11)20-10-13-8-12(9-18)4-6-15(13)19-2/h3-8H,9-10,18H2,1-2H3.
What are the key properties of [3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine?
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine has a molecular weight of 291.78 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 62671085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).