2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine

C16H18ClNO2 — CID 3052546

IUPAC2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C16H18ClNO2/c1-19-15-7-6-12(10-16(15)20-2)14(18)9-11-4-3-5-13(17)8-11/h3-8,10,14H,9,18H2,1-2H3
InChIKeyKCFXXZIEIOBTQT-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.60
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine

2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 3052546) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
PubChem CID3052546
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C16H18ClNO2/c1-19-15-7-6-12(10-16(15)20-2)14(18)9-11-4-3-5-13(17)8-11/h3-8,10,14H,9,18H2,1-2H3
InChIKeyKCFXXZIEIOBTQT-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 81284039
4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
CID 63428713
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 60819659
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
1-(4-chloro-3-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 107988738
2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine
CID 21156761
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine
CID 21157730
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
[1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)ethyl]hydrazine
CID 105195086

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine (CID 3052546) is 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine is COc1ccc(C(N)Cc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is KCFXXZIEIOBTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-19-15-7-6-12(10-16(15)20-2)14(18)9-11-4-3-5-13(17)8-11/h3-8,10,14H,9,18H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 3052546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).