2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol

C15H24FNO — CID 114871461

IUPAC2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
SMILESCCC(NC(CO)CC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-15(12-6-5-7-13(16)9-12)17-14(10-18)8-11(2)3/h5-7,9,11,14-15,17-18H,4,8,10H2,1-3H3
InChIKeyOSPKHNJBYXBILO-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.27
Rot. Bonds7

About 2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol

2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol (PubChem CID 114871461) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
PubChem CID114871461
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
SMILESCCC(NC(CO)CC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-15(12-6-5-7-13(16)9-12)17-14(10-18)8-11(2)3/h5-7,9,11,14-15,17-18H,4,8,10H2,1-3H3
InChIKeyOSPKHNJBYXBILO-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 61247130
3-[1-(3-fluorophenyl)propylamino]pentan-1-ol
CID 114871859
4-methyl-2-[1-(3-nitrophenyl)propylamino]pentan-1-ol
CID 61247431
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
CID 114871634
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871218
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 114871866
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol (CID 114871461) is 2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol is CCC(NC(CO)CC(C)C)c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol?
The InChIKey is OSPKHNJBYXBILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-15(12-6-5-7-13(16)9-12)17-14(10-18)8-11(2)3/h5-7,9,11,14-15,17-18H,4,8,10H2,1-3H3.
What are the key properties of 2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol?
2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol has a molecular weight of 253.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 114871461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).