1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine

C14H18FN3 — CID 79752175

IUPAC1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-2-8-18-9-7-17-14(18)10-13(16)11-3-5-12(15)6-4-11/h3-7,9,13H,2,8,10,16H2,1H3
InChIKeyKVWPXIZEDPIBJO-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.67
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 79752175) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID79752175
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-2-8-18-9-7-17-14(18)10-13(16)11-3-5-12(15)6-4-11/h3-7,9,13H,2,8,10,16H2,1H3
InChIKeyKVWPXIZEDPIBJO-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167771
1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760890
2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine
CID 79753140
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012377
1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 114330209
1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012524
2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66070569
1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012477
1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751631
[2-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192874
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105009337

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 79752175) is 1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is KVWPXIZEDPIBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-8-18-9-7-17-14(18)10-13(16)11-3-5-12(15)6-4-11/h3-7,9,13H,2,8,10,16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79752175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).