6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol

C10H16N2O3 — CID 66516816

IUPAC6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol
SMILESCOc1ccc([C@H](N)CN)c(O)c1OC
InChIInChI=1S/C10H16N2O3/c1-14-8-4-3-6(7(12)5-11)9(13)10(8)15-2/h3-4,7,13H,5,11-12H2,1-2H3/t7-/m1/s1
InChIKeyQMXFSSINOXLERB-SSDOTTSWSA-N
MW212.25 g/mol
LogP0.37
Rot. Bonds4

About 6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol

6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol (PubChem CID 66516816) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol.

Molecular Properties

Compound Name6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol
PubChem CID66516816
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol
SMILESCOc1ccc([C@H](N)CN)c(O)c1OC
InChIInChI=1S/C10H16N2O3/c1-14-8-4-3-6(7(12)5-11)9(13)10(8)15-2/h3-4,7,13H,5,11-12H2,1-2H3/t7-/m1/s1
InChIKeyQMXFSSINOXLERB-SSDOTTSWSA-N
XLogP0.37
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol 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-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(2S)-2-amino-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 66513090
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
CID 66516800
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872
2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 66070513
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171221531
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol?
The IUPAC name of 6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol (CID 66516816) is 6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol.
What is the SMILES notation for 6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol?
The canonical SMILES for 6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol is COc1ccc([C@H](N)CN)c(O)c1OC.
What is the InChIKey of 6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol?
The InChIKey is QMXFSSINOXLERB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-14-8-4-3-6(7(12)5-11)9(13)10(8)15-2/h3-4,7,13H,5,11-12H2,1-2H3/t7-/m1/s1.
What are the key properties of 6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol?
6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol has a molecular weight of 212.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol is sourced from PubChem (CID 66516816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).