1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine

C14H18FN3 — CID 63001649

IUPAC1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1nccn1C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-3-13(11-4-6-12(15)7-5-11)17-10-14-16-8-9-18(14)2/h4-9,13,17H,3,10H2,1-2H3
InChIKeyXAYOPHWCIVXSQC-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine

1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 63001649) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID63001649
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1nccn1C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-3-13(11-4-6-12(15)7-5-11)17-10-14-16-8-9-18(14)2/h4-9,13,17H,3,10H2,1-2H3
InChIKeyXAYOPHWCIVXSQC-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60694668
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
1-(4-fluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 103882349
1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 62049333
1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63454016
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 64918015
[2-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192874
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75484161
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 63001649) is 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine is CCC(NCc1nccn1C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is XAYOPHWCIVXSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-13(11-4-6-12(15)7-5-11)17-10-14-16-8-9-18(14)2/h4-9,13,17H,3,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63001649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).