2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine

C14H18FN3 — CID 54961050

IUPAC2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
SMILESCc1nccn1CCNCCc1cccc(F)c1
InChIInChI=1S/C14H18FN3/c1-12-17-8-10-18(12)9-7-16-6-5-13-3-2-4-14(15)11-13/h2-4,8,10-11,16H,5-7,9H2,1H3
InChIKeyVXYKZCCDTCXCJQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.16
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine

2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine (PubChem CID 54961050) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
PubChem CID54961050
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
SMILESCc1nccn1CCNCCc1cccc(F)c1
InChIInChI=1S/C14H18FN3/c1-12-17-8-10-18(12)9-7-16-6-5-13-3-2-4-14(15)11-13/h2-4,8,10-11,16H,5-7,9H2,1H3
InChIKeyVXYKZCCDTCXCJQ-UHFFFAOYSA-N
XLogP2.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]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)-1-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81365719
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 62538462
2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 114254602
4-(2-chloroethyl)-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 65025844
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 105348559
1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106562539
1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797893
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
CID 43401980
4-[[2-(2-methylimidazol-1-yl)ethylamino]methyl]phenol
CID 114331892

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine (CID 54961050) is 2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine is Cc1nccn1CCNCCc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
The InChIKey is VXYKZCCDTCXCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-12-17-8-10-18(12)9-7-16-6-5-13-3-2-4-14(15)11-13/h2-4,8,10-11,16H,5-7,9H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine?
2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 54961050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).