1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine

C14H18FN3 — CID 115634136

IUPAC1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCc1nccn1C
InChIInChI=1S/C14H18FN3/c1-11(8-12-4-3-5-13(15)9-12)17-10-14-16-6-7-18(14)2/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyPJHKEOXHZBJGES-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.28
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine

1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine (PubChem CID 115634136) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
PubChem CID115634136
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCc1nccn1C
InChIInChI=1S/C14H18FN3/c1-11(8-12-4-3-5-13(15)9-12)17-10-14-16-6-7-18(14)2/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyPJHKEOXHZBJGES-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010388
1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751415
2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114531376
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 92854425
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120
3-[(1-methylimidazol-2-yl)methylamino]butanenitrile
CID 63296004
(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363525
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylpyrazol-3-amine
CID 115729372

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine (CID 115634136) is 1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine is CC(Cc1cccc(F)c1)NCc1nccn1C.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is PJHKEOXHZBJGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-11(8-12-4-3-5-13(15)9-12)17-10-14-16-6-7-18(14)2/h3-7,9,11,17H,8,10H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 115634136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).