2-methoxyphenol;N'-methylethane-1,2-diamine

C10H18N2O2 — CID 175514452

IUPAC2-methoxyphenol;N'-methylethane-1,2-diamine
SMILESCNCCN.COc1ccccc1O
InChIInChI=1S/C7H8O2.C3H10N2/c1-9-7-5-3-2-4-6(7)8;1-5-3-2-4/h2-5,8H,1H3;5H,2-4H2,1H3
InChIKeyPXCUHOYXENAOCK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.57
Rot. Bonds3

About 2-methoxyphenol;N'-methylethane-1,2-diamine

2-methoxyphenol;N'-methylethane-1,2-diamine (PubChem CID 175514452) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methoxyphenol;N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name2-methoxyphenol;N'-methylethane-1,2-diamine
PubChem CID175514452
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-methoxyphenol;N'-methylethane-1,2-diamine
SMILESCNCCN.COc1ccccc1O
InChIInChI=1S/C7H8O2.C3H10N2/c1-9-7-5-3-2-4-6(7)8;1-5-3-2-4/h2-5,8H,1H3;5H,2-4H2,1H3
InChIKeyPXCUHOYXENAOCK-UHFFFAOYSA-N
XLogP0.57
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methoxyphenol;N'-methylethane-1,2-diamine 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

N'-ethylpropane-1,3-diamine;2-methoxyphenol
CID 175514444
azane;2-methoxyphenol
CID 172717837
2-methoxyphenol;molecular bromine
CID 141484212
methanethiol;2-methoxyphenol
CID 141484211
CID 174763347
CID 174763347
formonitrile;2-methoxyphenol
CID 161059546
methanesulfonic acid;2-methoxyphenol
CID 71332079
dichlorotitanium;bis(2-methoxyphenol)
CID 164736686
2-methoxyphenol;oxalic acid
CID 162319729
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553

Frequently Asked Questions

What is the IUPAC name of 2-methoxyphenol;N'-methylethane-1,2-diamine?
The IUPAC name of 2-methoxyphenol;N'-methylethane-1,2-diamine (CID 175514452) is 2-methoxyphenol;N'-methylethane-1,2-diamine.
What is the SMILES notation for 2-methoxyphenol;N'-methylethane-1,2-diamine?
The canonical SMILES for 2-methoxyphenol;N'-methylethane-1,2-diamine is CNCCN.COc1ccccc1O.
What is the InChIKey of 2-methoxyphenol;N'-methylethane-1,2-diamine?
The InChIKey is PXCUHOYXENAOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C3H10N2/c1-9-7-5-3-2-4-6(7)8;1-5-3-2-4/h2-5,8H,1H3;5H,2-4H2,1H3.
What are the key properties of 2-methoxyphenol;N'-methylethane-1,2-diamine?
2-methoxyphenol;N'-methylethane-1,2-diamine has a molecular weight of 198.27 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyphenol;N'-methylethane-1,2-diamine is sourced from PubChem (CID 175514452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).