(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride

C12H18ClNO2 — CID 171220722

IUPAC(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc(OC)c1[C@@H](N)C1CC1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-9-4-3-5-10(15-2)11(9)12(13)8-6-7-8;/h3-5,8,12H,6-7,13H2,1-2H3;1H/t12-;/m0./s1
InChIKeyDFGWCMBNIWGHCG-YDALLXLXSA-N
MW243.73 g/mol
LogP2.54
Rot. Bonds4

About (S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride

(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride (PubChem CID 171220722) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride
PubChem CID171220722
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc(OC)c1[C@@H](N)C1CC1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-9-4-3-5-10(15-2)11(9)12(13)8-6-7-8;/h3-5,8,12H,6-7,13H2,1-2H3;1H/t12-;/m0./s1
InChIKeyDFGWCMBNIWGHCG-YDALLXLXSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;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

(R)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine
CID 171201185
cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride
CID 167712997
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(R)-cyclopropyl-(2-methoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171212946
4-[(R)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202408
4-[(S)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221960
(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176
cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82279330
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride (CID 171220722) is (S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride is COc1cccc(OC)c1[C@@H](N)C1CC1.Cl.
What is the InChIKey of (S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride?
The InChIKey is DFGWCMBNIWGHCG-YDALLXLXSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-14-9-4-3-5-10(15-2)11(9)12(13)8-6-7-8;/h3-5,8,12H,6-7,13H2,1-2H3;1H/t12-;/m0./s1.
What are the key properties of (S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride?
(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171220722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).