3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine

C12H14FN3 — CID 82559058

IUPAC3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine
SMILESNCCCn1ccnc1-c1ccccc1F
InChIInChI=1S/C12H14FN3/c13-11-5-2-1-4-10(11)12-15-7-9-16(12)8-3-6-14/h1-2,4-5,7,9H,3,6,8,14H2
InChIKeyMPWZVUBBYFIMLZ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.04
Rot. Bonds4

About 3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine

3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine (PubChem CID 82559058) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine
PubChem CID82559058
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine
SMILESNCCCn1ccnc1-c1ccccc1F
InChIInChI=1S/C12H14FN3/c13-11-5-2-1-4-10(11)12-15-7-9-16(12)8-3-6-14/h1-2,4-5,7,9H,3,6,8,14H2
InChIKeyMPWZVUBBYFIMLZ-UHFFFAOYSA-N
XLogP2.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559838
1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole
CID 82562071
4-[2-(2,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
CID 82559638
4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560528
3-[2-(1-methylimidazol-2-yl)phenyl]propan-1-amine
CID 117307087
2-(1-ethylimidazol-2-yl)-6-fluoroaniline
CID 107602831
3-[2-[4-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]propan-1-amine;dihydrochloride
CID 154923637
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 57082680
3-(2-methylimidazol-1-yl)propan-1-amine;quinoline
CID 174881981
3-(2-methoxyimidazol-1-yl)propan-1-amine
CID 82416306
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine (CID 82559058) is 3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine is NCCCn1ccnc1-c1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine?
The InChIKey is MPWZVUBBYFIMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-11-5-2-1-4-10(11)12-15-7-9-16(12)8-3-6-14/h1-2,4-5,7,9H,3,6,8,14H2.
What are the key properties of 3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine?
3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine has a molecular weight of 219.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82559058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).