(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride

C10H17ClN2O2 — CID 171201072

IUPAC(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc([C@H](N)CN)c(OC)c1.Cl
InChIInChI=1S/C10H16N2O2.ClH/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2;/h3-5,9H,6,11-12H2,1-2H3;1H/t9-;/m1./s1
InChIKeyQOVLFMWLSXLHNX-SBSPUUFOSA-N
MW232.71 g/mol
LogP1.08
Rot. Bonds4

About (1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride

(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171201072) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is (1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171201072
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc([C@H](N)CN)c(OC)c1.Cl
InChIInChI=1S/C10H16N2O2.ClH/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2;/h3-5,9H,6,11-12H2,1-2H3;1H/t9-;/m1./s1
InChIKeyQOVLFMWLSXLHNX-SBSPUUFOSA-N
XLogP1.08
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;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-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312907
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224876
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894473

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride (CID 171201072) is (1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride is COc1ccc([C@H](N)CN)c(OC)c1.Cl.
What is the InChIKey of (1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is QOVLFMWLSXLHNX-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H16N2O2.ClH/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2;/h3-5,9H,6,11-12H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride?
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171201072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).