1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine

C15H20FN3 — CID 112631437

IUPAC1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)Cn1ccnc1)c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-3-15(13-6-4-5-7-14(13)16)18-12(2)10-19-9-8-17-11-19/h4-9,11-12,15,18H,3,10H2,1-2H3
InChIKeyQVBZWTSMSQXEOI-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.15
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine

1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine (PubChem CID 112631437) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
PubChem CID112631437
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)Cn1ccnc1)c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-3-15(13-6-4-5-7-14(13)16)18-12(2)10-19-9-8-17-11-19/h4-9,11-12,15,18H,3,10H2,1-2H3
InChIKeyQVBZWTSMSQXEOI-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
CID 61479260
1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine
CID 114058314
3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine
CID 43792012
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 112633052
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
1-[2-(2-fluorophenyl)-2-(4-phenylphenyl)ethyl]imidazole
CID 12831919
N-(2-imidazol-1-ylethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 61325312

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine (CID 112631437) is 1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine is CCC(NC(C)Cn1ccnc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine?
The InChIKey is QVBZWTSMSQXEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-15(13-6-4-5-7-14(13)16)18-12(2)10-19-9-8-17-11-19/h4-9,11-12,15,18H,3,10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine?
1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 112631437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).