1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine

C16H18ClNO2 — CID 43318134

IUPAC1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccccc2OC)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-19-15-6-4-3-5-12(15)10-14(18)11-7-8-16(20-2)13(17)9-11/h3-9,14H,10,18H2,1-2H3
InChIKeyDACUHBCJHXHJDR-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine

1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 43318134) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine
PubChem CID43318134
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccccc2OC)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-19-15-6-4-3-5-12(15)10-14(18)11-7-8-16(20-2)13(17)9-11/h3-9,14H,10,18H2,1-2H3
InChIKeyDACUHBCJHXHJDR-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

1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline
CID 105107410
2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817066
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999
(1R)-1-(3-chloro-4-methoxyphenyl)but-3-en-1-amine
CID 170896629

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine (CID 43318134) is 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine is COc1ccc(C(N)Cc2ccccc2OC)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is DACUHBCJHXHJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-19-15-6-4-3-5-12(15)10-14(18)11-7-8-16(20-2)13(17)9-11/h3-9,14H,10,18H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine?
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)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 1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 43318134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).