1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine

C17H24FN3 — CID 43126715

IUPAC1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine
SMILESCCCCC(NCCCn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3/c1-2-3-5-17(15-6-8-16(18)9-7-15)20-10-4-12-21-13-11-19-14-21/h6-9,11,13-14,17,20H,2-5,10,12H2,1H3
InChIKeyMHMCFJNWOHEHJG-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.93
Rot. Bonds9

About 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine

1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine (PubChem CID 43126715) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine
PubChem CID43126715
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine
SMILESCCCCC(NCCCn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3/c1-2-3-5-17(15-6-8-16(18)9-7-15)20-10-4-12-21-13-11-19-14-21/h6-9,11,13-14,17,20H,2-5,10,12H2,1H3
InChIKeyMHMCFJNWOHEHJG-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114871153
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 97096373
2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide
CID 106335021
1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine
CID 115721013
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine;dihydrochloride
CID 19429517
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine
CID 166310142

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine (CID 43126715) is 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine is CCCCC(NCCCn1ccnc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine?
The InChIKey is MHMCFJNWOHEHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-2-3-5-17(15-6-8-16(18)9-7-15)20-10-4-12-21-13-11-19-14-21/h6-9,11,13-14,17,20H,2-5,10,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine?
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.93, 9 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-imidazol-1-ylpropyl)pentan-1-amine is sourced from PubChem (CID 43126715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).