(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine

C9H14N2O — CID 51699599

IUPAC(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1[C@H](N)CN
InChIInChI=1S/C9H14N2O/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8H,6,10-11H2,1H3/t8-/m1/s1
InChIKeyXUBNIEXLYZKEQM-MRVPVSSYSA-N
MW166.22 g/mol
LogP0.65
Rot. Bonds3

About (1S)-1-(2-methoxyphenyl)ethane-1,2-diamine

(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine (PubChem CID 51699599) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (1S)-1-(2-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
PubChem CID51699599
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1[C@H](N)CN
InChIInChI=1S/C9H14N2O/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8H,6,10-11H2,1H3/t8-/m1/s1
InChIKeyXUBNIEXLYZKEQM-MRVPVSSYSA-N
XLogP0.65
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(2-methoxyphenyl)ethane-1,2-diamine 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-methoxyphenyl)propane-1,3-diamine
CID 171219974
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine
CID 66518149
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224876
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2-methoxyphenyl)ethane-1,2-diamine (CID 51699599) is (1S)-1-(2-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2-methoxyphenyl)ethane-1,2-diamine is COc1ccccc1[C@H](N)CN.
What is the InChIKey of (1S)-1-(2-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is XUBNIEXLYZKEQM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8H,6,10-11H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-1-(2-methoxyphenyl)ethane-1,2-diamine?
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 166.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 51699599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).