N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

C15H20FN3 — CID 114529913

IUPACN-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-17-14(12-5-4-6-13(16)11-12)7-8-15-18-9-10-19(15)2/h4-6,9-11,14,17H,3,7-8H2,1-2H3
InChIKeyGTODILZQLIKLFU-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.84
Rot. Bonds6

About N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 114529913) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID114529913
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-17-14(12-5-4-6-13(16)11-12)7-8-15-18-9-10-19(15)2/h4-6,9-11,14,17H,3,7-8H2,1-2H3
InChIKeyGTODILZQLIKLFU-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine 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-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530181
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530517
[3-(1-methylimidazol-2-yl)-1-(3-methylphenyl)propyl]hydrazine
CID 105200793
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107985466
1-(3-chloro-2-pyridinyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103444443
1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530197
1-(4-bromo-3-methylphenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049733
1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751985
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114531376
N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 105049697
N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530047

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 114529913) is N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine is CCNC(CCc1nccn1C)c1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is GTODILZQLIKLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-17-14(12-5-4-6-13(16)11-12)7-8-15-18-9-10-19(15)2/h4-6,9-11,14,17H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114529913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).