1-(2,6-dimethoxyphenyl)ethane-1,2-diamine

C10H16N2O2 — CID 22756535

IUPAC1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(OC)c1C(N)CN
InChIInChI=1S/C10H16N2O2/c1-13-8-4-3-5-9(14-2)10(8)7(12)6-11/h3-5,7H,6,11-12H2,1-2H3
InChIKeyOEFZNWLHWVRJJG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.66
Rot. Bonds4

About 1-(2,6-dimethoxyphenyl)ethane-1,2-diamine

1-(2,6-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 22756535) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID22756535
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(OC)c1C(N)CN
InChIInChI=1S/C10H16N2O2/c1-13-8-4-3-5-9(14-2)10(8)7(12)6-11/h3-5,7H,6,11-12H2,1-2H3
InChIKeyOEFZNWLHWVRJJG-UHFFFAOYSA-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-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine
CID 55283458
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
(1S)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171220710
2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
CID 66516800
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171201179

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)ethane-1,2-diamine (CID 22756535) is 1-(2,6-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)ethane-1,2-diamine is COc1cccc(OC)c1C(N)CN.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is OEFZNWLHWVRJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-13-8-4-3-5-9(14-2)10(8)7(12)6-11/h3-5,7H,6,11-12H2,1-2H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)ethane-1,2-diamine?
1-(2,6-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 1-(2,6-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 22756535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).