4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol

C15H22FNO2 — CID 114871723

IUPAC4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol
SMILESCCC(NCC1(O)CCOCC1)c1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-2-14(12-4-3-5-13(16)10-12)17-11-15(18)6-8-19-9-7-15/h3-5,10,14,17-18H,2,6-9,11H2,1H3
InChIKeyNRQDJMYGYVYKAB-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.41
Rot. Bonds5

About 4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol

4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol (PubChem CID 114871723) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol
PubChem CID114871723
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol
SMILESCCC(NCC1(O)CCOCC1)c1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-2-14(12-4-3-5-13(16)10-12)17-11-15(18)6-8-19-9-7-15/h3-5,10,14,17-18H,2,6-9,11H2,1H3
InChIKeyNRQDJMYGYVYKAB-UHFFFAOYSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 114871638
4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol
CID 81131200
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
4-[(1-phenylbutylamino)methyl]oxan-4-ol
CID 81130769
1-[[1-(3-chlorophenyl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115735
1-[[1-(3-bromophenyl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115199
3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 114871820
4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol
CID 97342031
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129
4-[[1-(3-bromophenyl)ethylamino]methyl]oxan-4-ol
CID 79140113
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol (CID 114871723) is 4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol is CCC(NCC1(O)CCOCC1)c1cccc(F)c1.
What is the InChIKey of 4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol?
The InChIKey is NRQDJMYGYVYKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-2-14(12-4-3-5-13(16)10-12)17-11-15(18)6-8-19-9-7-15/h3-5,10,14,17-18H,2,6-9,11H2,1H3.
What are the key properties of 4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol?
4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol has a molecular weight of 267.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114871723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).