1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine

C16H22FN3 — CID 66130587

IUPAC1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cncc1CNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H22FN3/c1-3-8-20-12-18-10-16(20)11-19-13(2)9-14-4-6-15(17)7-5-14/h4-7,10,12-13,19H,3,8-9,11H2,1-2H3
InChIKeyLBERAEYQMDBQQW-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.15
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine

1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 66130587) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
PubChem CID66130587
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cncc1CNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H22FN3/c1-3-8-20-12-18-10-16(20)11-19-13(2)9-14-4-6-15(17)7-5-14/h4-7,10,12-13,19H,3,8-9,11H2,1-2H3
InChIKeyLBERAEYQMDBQQW-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81365622
(1R)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81369190
1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130194
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
CID 63001280
1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66131355
1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130561
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine (CID 66130587) is 1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine is CCCn1cncc1CNC(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is LBERAEYQMDBQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-8-20-12-18-10-16(20)11-19-13(2)9-14-4-6-15(17)7-5-14/h4-7,10,12-13,19H,3,8-9,11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66130587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).