1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine

C10H16N2O — CID 55283458

IUPAC1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine
SMILESCOc1cccc(C)c1C(N)CN
InChIInChI=1S/C10H16N2O/c1-7-4-3-5-9(13-2)10(7)8(12)6-11/h3-5,8H,6,11-12H2,1-2H3
InChIKeyNDOQYBATTZCKML-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.96
Rot. Bonds3

About 1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine

1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine (PubChem CID 55283458) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine
PubChem CID55283458
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine
SMILESCOc1cccc(C)c1C(N)CN
InChIInChI=1S/C10H16N2O/c1-7-4-3-5-9(13-2)10(7)8(12)6-11/h3-5,8H,6,11-12H2,1-2H3
InChIKeyNDOQYBATTZCKML-UHFFFAOYSA-N
XLogP0.96
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
(2S)-2-amino-2-(2-methoxy-6-methylphenyl)ethanol
CID 638516
2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine
CID 83923858
2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine
CID 22297973
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
CID 66516800
5-(2-methoxy-6-methylphenyl)heptan-2-amine
CID 83923910
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine (CID 55283458) is 1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine is COc1cccc(C)c1C(N)CN.
What is the InChIKey of 1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine?
The InChIKey is NDOQYBATTZCKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-4-3-5-9(13-2)10(7)8(12)6-11/h3-5,8H,6,11-12H2,1-2H3.
What are the key properties of 1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine?
1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55283458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).