[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol

C16H24FNO2 — CID 99820181

IUPAC[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol
SMILESCC[C@@H](NCC1(CO)CCOCC1)c1ccccc1F
InChIInChI=1S/C16H24FNO2/c1-2-15(13-5-3-4-6-14(13)17)18-11-16(12-19)7-9-20-10-8-16/h3-6,15,18-19H,2,7-12H2,1H3/t15-/m1/s1
InChIKeyNGGSMGMMGQCNPX-OAHLLOKOSA-N
MW281.37 g/mol
LogP2.66
Rot. Bonds6

About [4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol

[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol (PubChem CID 99820181) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is [4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol
PubChem CID99820181
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol
SMILESCC[C@@H](NCC1(CO)CCOCC1)c1ccccc1F
InChIInChI=1S/C16H24FNO2/c1-2-15(13-5-3-4-6-14(13)17)18-11-16(12-19)7-9-20-10-8-16/h3-6,15,18-19H,2,7-12H2,1H3/t15-/m1/s1
InChIKeyNGGSMGMMGQCNPX-OAHLLOKOSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine
CID 99852122
4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 115994404
[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358414
[1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81419006
[4-[[(3-methyl-1-phenylsulfanylbutan-2-yl)amino]methyl]oxan-4-yl]methanol
CID 110011255
3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol
CID 103948607
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964080
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol
CID 66024317
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826

Frequently Asked Questions

What is the IUPAC name of [4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol (CID 99820181) is [4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol is CC[C@@H](NCC1(CO)CCOCC1)c1ccccc1F.
What is the InChIKey of [4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol?
The InChIKey is NGGSMGMMGQCNPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-15(13-5-3-4-6-14(13)17)18-11-16(12-19)7-9-20-10-8-16/h3-6,15,18-19H,2,7-12H2,1H3/t15-/m1/s1.
What are the key properties of [4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol?
[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol has a molecular weight of 281.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 99820181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).