2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine

C16H18ClNO2 — CID 82039087

IUPAC2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
SMILESCOc1cc(-c2ccccc2Cl)cc(CCN)c1OC
InChIInChI=1S/C16H18ClNO2/c1-19-15-10-12(13-5-3-4-6-14(13)17)9-11(7-8-18)16(15)20-2/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyQLKAGRQIHASNND-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.53
Rot. Bonds5

About 2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine

2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine (PubChem CID 82039087) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
PubChem CID82039087
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
SMILESCOc1cc(-c2ccccc2Cl)cc(CCN)c1OC
InChIInChI=1S/C16H18ClNO2/c1-19-15-10-12(13-5-3-4-6-14(13)17)9-11(7-8-18)16(15)20-2/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyQLKAGRQIHASNND-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224806
3-[3-(2-aminoethyl)-4,5-dimethoxyphenyl]aniline
CID 82038903
2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine
CID 39226750
[5-(4-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224816
3-(2-aminoethyl)-4,5-dimethoxyphenol
CID 117287027
1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 54565431
2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 69173807
3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
CID 166398717
2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine
CID 82038950
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine?
The IUPAC name of 2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine (CID 82039087) is 2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine?
The canonical SMILES for 2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine is COc1cc(-c2ccccc2Cl)cc(CCN)c1OC.
What is the InChIKey of 2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine?
The InChIKey is QLKAGRQIHASNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-19-15-10-12(13-5-3-4-6-14(13)17)9-11(7-8-18)16(15)20-2/h3-6,9-10H,7-8,18H2,1-2H3.
What are the key properties of 2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine?
2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine is sourced from PubChem (CID 82039087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).