1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine

C15H20FN3 — CID 114871153

IUPAC1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
SMILESCCC(NCCCn1ccnc1)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-2-15(13-5-3-6-14(16)11-13)18-7-4-9-19-10-8-17-12-19/h3,5-6,8,10-12,15,18H,2,4,7,9H2,1H3
InChIKeyNEODPUVJYVNGQR-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.15
Rot. Bonds7

About 1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine

1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine (PubChem CID 114871153) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
PubChem CID114871153
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
SMILESCCC(NCCCn1ccnc1)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-2-15(13-5-3-6-14(16)11-13)18-7-4-9-19-10-8-17-12-19/h3,5-6,8,10-12,15,18H,2,4,7,9H2,1H3
InChIKeyNEODPUVJYVNGQR-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.15
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

(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 97096373
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine
CID 43126715
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793
1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 102612940
1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 114871000
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzonitrile
CID 43773848
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871459
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
3-fluoro-N-(2-imidazol-1-ylethyl)aniline
CID 62564347
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine (CID 114871153) is 1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine is CCC(NCCCn1ccnc1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine?
The InChIKey is NEODPUVJYVNGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-15(13-5-3-6-14(16)11-13)18-7-4-9-19-10-8-17-12-19/h3,5-6,8,10-12,15,18H,2,4,7,9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine?
1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine has a molecular weight of 261.34 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-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine is sourced from PubChem (CID 114871153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).