N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

C13H18N4O — CID 66119415

IUPACN-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2cncn2C)c1
InChIInChI=1S/C13H18N4O/c1-17-9-15-8-13(17)12(7-14)16-10-4-3-5-11(6-10)18-2/h3-6,8-9,12,16H,7,14H2,1-2H3
InChIKeyMEWWIJOHOSNIKN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.54
Rot. Bonds5

About N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66119415) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66119415
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2cncn2C)c1
InChIInChI=1S/C13H18N4O/c1-17-9-15-8-13(17)12(7-14)16-10-4-3-5-11(6-10)18-2/h3-6,8-9,12,16H,7,14H2,1-2H3
InChIKeyMEWWIJOHOSNIKN-UHFFFAOYSA-N
XLogP1.54
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-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

1-(3-methylimidazol-4-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 66116258
1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65376485
N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129614
methyl 2-(3-ethylimidazol-4-yl)-2-(3-methoxyanilino)acetate
CID 66132458
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65378155
N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 65379203
2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
CID 65376487
1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 81437578
N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118585
2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol
CID 113373098
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (CID 66119415) is N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is COc1cccc(NC(CN)c2cncn2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is MEWWIJOHOSNIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-9-15-8-13(17)12(7-14)16-10-4-3-5-11(6-10)18-2/h3-6,8-9,12,16H,7,14H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 246.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66119415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).