(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine

C10H16N2O2 — CID 55278892

IUPAC(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc([C@H](N)CN)c1OC
InChIInChI=1S/C10H16N2O2/c1-13-9-5-3-4-7(8(12)6-11)10(9)14-2/h3-5,8H,6,11-12H2,1-2H3/t8-/m1/s1
InChIKeySWCXHZPQTYARSH-MRVPVSSYSA-N
MW196.25 g/mol
LogP0.66
Rot. Bonds4

About (1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine

(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 55278892) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID55278892
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc([C@H](N)CN)c1OC
InChIInChI=1S/C10H16N2O2/c1-13-9-5-3-4-7(8(12)6-11)10(9)14-2/h3-5,8H,6,11-12H2,1-2H3/t8-/m1/s1
InChIKeySWCXHZPQTYARSH-MRVPVSSYSA-N
XLogP0.66
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
1-(2,3-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105174573
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
CID 12814074
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098958
1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031814
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine (CID 55278892) is (1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine is COc1cccc([C@H](N)CN)c1OC.
What is the InChIKey of (1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is SWCXHZPQTYARSH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-13-9-5-3-4-7(8(12)6-11)10(9)14-2/h3-5,8H,6,11-12H2,1-2H3/t8-/m1/s1.
What are the key properties of (1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine?
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55278892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).