1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

C14H19N3O — CID 63001836

IUPAC1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2cnc(C)[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-10(12-4-6-14(18-3)7-5-12)15-8-13-9-16-11(2)17-13/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyWYFRWNRYCUPSDP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.58
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (PubChem CID 63001836) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
PubChem CID63001836
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2cnc(C)[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-10(12-4-6-14(18-3)7-5-12)15-8-13-9-16-11(2)17-13/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyWYFRWNRYCUPSDP-UHFFFAOYSA-N
XLogP2.58
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine 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

(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81348318
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 81370559
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 62741768
(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042566
methyl 5-[[1-(4-methoxyphenyl)ethylamino]methyl]-1H-pyrrole-2-carboxylate
CID 79406170
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline
CID 62743816
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371074
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (CID 63001836) is 1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is COc1ccc(C(C)NCc2cnc(C)[nH]2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The InChIKey is WYFRWNRYCUPSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(12-4-6-14(18-3)7-5-12)15-8-13-9-16-11(2)17-13/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of 1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 63001836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).