(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride

C12H17Cl2NO — CID 171234667

IUPAC(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1[C@@H](N)CC1CC1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-15-12-5-4-9(13)7-10(12)11(14)6-8-2-3-8;/h4-5,7-8,11H,2-3,6,14H2,1H3;1H/t11-;/m0./s1
InChIKeyOIJACJMHZFXDCF-MERQFXBCSA-N
MW262.18 g/mol
LogP3.57
Rot. Bonds4

About (1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride

(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride (PubChem CID 171234667) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is (1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
PubChem CID171234667
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1[C@@H](N)CC1CC1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-15-12-5-4-9(13)7-10(12)11(14)6-8-2-3-8;/h4-5,7-8,11H,2-3,6,14H2,1H3;1H/t11-;/m0./s1
InChIKeyOIJACJMHZFXDCF-MERQFXBCSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;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

3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171221548
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
CID 65189958
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(1R)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171215027
1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
CID 116935148
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105003464

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride?
The IUPAC name of (1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride (CID 171234667) is (1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride is COc1ccc(Cl)cc1[C@@H](N)CC1CC1.Cl.
What is the InChIKey of (1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride?
The InChIKey is OIJACJMHZFXDCF-MERQFXBCSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-15-12-5-4-9(13)7-10(12)11(14)6-8-2-3-8;/h4-5,7-8,11H,2-3,6,14H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride?
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride is sourced from PubChem (CID 171234667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).