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

C10H16N2O3 — CID 66516800

IUPAC2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
SMILESCOc1ccc(OC)c([C@H](N)CN)c1O
InChIInChI=1S/C10H16N2O3/c1-14-7-3-4-8(15-2)10(13)9(7)6(12)5-11/h3-4,6,13H,5,11-12H2,1-2H3/t6-/m1/s1
InChIKeyLNGMPHZDAOHLKQ-ZCFIWIBFSA-N
MW212.25 g/mol
LogP0.37
Rot. Bonds4

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

2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol (PubChem CID 66516800) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol.

Molecular Properties

Compound Name2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
PubChem CID66516800
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
SMILESCOc1ccc(OC)c([C@H](N)CN)c1O
InChIInChI=1S/C10H16N2O3/c1-14-7-3-4-8(15-2)10(13)9(7)6(12)5-11/h3-4,6,13H,5,11-12H2,1-2H3/t6-/m1/s1
InChIKeyLNGMPHZDAOHLKQ-ZCFIWIBFSA-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'}

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Related Compounds

1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
3-bromo-2-[(1S)-1,3-diaminopropyl]-6-methoxyphenol
CID 171254249
6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol
CID 66516816
3-bromo-2-[(1S)-1,3-diaminopropyl]-6-methoxyphenol;hydrochloride
CID 171254250
1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine
CID 55283458
2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol
CID 131188057
2-[(1R)-1-amino-3-methylbut-3-enyl]-6-chloro-3-methoxyphenol
CID 171257550
2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride
CID 171257502
2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol
CID 171257518
(2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid
CID 66512743
2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid
CID 84689653

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol?
The IUPAC name of 2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol (CID 66516800) is 2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol.
What is the SMILES notation for 2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol?
The canonical SMILES for 2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol is COc1ccc(OC)c([C@H](N)CN)c1O.
What is the InChIKey of 2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol?
The InChIKey is LNGMPHZDAOHLKQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-14-7-3-4-8(15-2)10(13)9(7)6(12)5-11/h3-4,6,13H,5,11-12H2,1-2H3/t6-/m1/s1.
What are the key properties of 2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol?
2-[(1S)-1,2-diaminoethyl]-3,6-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 2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol is sourced from PubChem (CID 66516800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).