1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine

C16H18ClNO2 — CID 62801327

IUPAC1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(OC)c(C(C)(N)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClNO2/c1-16(18,11-5-4-6-12(17)9-11)14-10-13(19-2)7-8-15(14)20-3/h4-10H,18H2,1-3H3
InChIKeyVIOAROOODCYJGW-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.58
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine

1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine (PubChem CID 62801327) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine
PubChem CID62801327
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(OC)c(C(C)(N)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClNO2/c1-16(18,11-5-4-6-12(17)9-11)14-10-13(19-2)7-8-15(14)20-3/h4-10H,18H2,1-3H3
InChIKeyVIOAROOODCYJGW-UHFFFAOYSA-N
XLogP3.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 62790432
1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 82769168
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
CID 63408144
1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82771079
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 55120933
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 103395200
1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine
CID 62791102
1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine
CID 62789192

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine (CID 62801327) is 1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine is COc1ccc(OC)c(C(C)(N)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine?
The InChIKey is VIOAROOODCYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-16(18,11-5-4-6-12(17)9-11)14-10-13(19-2)7-8-15(14)20-3/h4-10H,18H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine?
1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 62801327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).