1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride

C9H13Cl2NO — CID 167530953

IUPAC1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc(Cl)ccc1C(C)N.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-6(11)8-4-3-7(10)5-9(8)12-2;/h3-6H,11H2,1-2H3;1H
InChIKeyXHAHLVYMKOQRSX-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.79
Rot. Bonds2

About 1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride

1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 167530953) has the molecular formula C9H13Cl2NO and a molecular weight of 222.12 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
PubChem CID167530953
Molecular FormulaC9H13Cl2NO
Molecular Weight222.12 g/mol
Exact Mass221.04
IUPAC Name1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc(Cl)ccc1C(C)N.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-6(11)8-4-3-7(10)5-9(8)12-2;/h3-6H,11H2,1-2H3;1H
InChIKeyXHAHLVYMKOQRSX-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
1-(4-chloro-2-methoxyphenyl)-2-methoxyethanamine
CID 112693324
1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005589
1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 114978300
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66448703
(4-chloro-2-methoxyphenyl)-(3,5-difluorophenyl)methanamine
CID 115851745
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride (CID 167530953) is 1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride is COc1cc(Cl)ccc1C(C)N.Cl.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is XHAHLVYMKOQRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-6(11)8-4-3-7(10)5-9(8)12-2;/h3-6H,11H2,1-2H3;1H.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride?
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 222.12 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 167530953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).