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

C15H24FNO — CID 103948533

IUPAC3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol
SMILESCCC(NC(CCO)C(C)C)c1ccccc1F
InChIInChI=1S/C15H24FNO/c1-4-14(12-7-5-6-8-13(12)16)17-15(9-10-18)11(2)3/h5-8,11,14-15,17-18H,4,9-10H2,1-3H3
InChIKeyULTQFTXSESRSHF-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.27
Rot. Bonds7

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

3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol (PubChem CID 103948533) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol
PubChem CID103948533
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol
SMILESCCC(NC(CCO)C(C)C)c1ccccc1F
InChIInChI=1S/C15H24FNO/c1-4-14(12-7-5-6-8-13(12)16)17-15(9-10-18)11(2)3/h5-8,11,14-15,17-18H,4,9-10H2,1-3H3
InChIKeyULTQFTXSESRSHF-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

N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol
CID 103948607
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 112633052
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
CID 113250283
3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786537
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 112631399

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol (CID 103948533) is 3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol is CCC(NC(CCO)C(C)C)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol?
The InChIKey is ULTQFTXSESRSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-14(12-7-5-6-8-13(12)16)17-15(9-10-18)11(2)3/h5-8,11,14-15,17-18H,4,9-10H2,1-3H3.
What are the key properties of 3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol?
3-[1-(2-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 3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 103948533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).