1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine

C13H16FN3 — CID 62997912

IUPAC1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cncn1C)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-10(11-3-5-12(14)6-4-11)16-8-13-7-15-9-17(13)2/h3-7,9-10,16H,8H2,1-2H3
InChIKeyCEDLCFLIUCQCBH-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.41
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine

1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 62997912) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
PubChem CID62997912
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cncn1C)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-10(11-3-5-12(14)6-4-11)16-8-13-7-15-9-17(13)2/h3-7,9-10,16H,8H2,1-2H3
InChIKeyCEDLCFLIUCQCBH-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-[(3-methylimidazol-4-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

(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 63000281
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 63002109
1-[4-[(1S)-1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 124692405
(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600
1-[2-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 63000114
1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997890
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130561
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine (CID 62997912) is 1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine is CC(NCc1cncn1C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is CEDLCFLIUCQCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10(11-3-5-12(14)6-4-11)16-8-13-7-15-9-17(13)2/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62997912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).