3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol

C16H26FNO — CID 103948607

IUPAC3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(CC)c1ccccc1F
InChIInChI=1S/C16H26FNO/c1-3-7-13(10-11-19)12-18-16(4-2)14-8-5-6-9-15(14)17/h5-6,8-9,13,16,18-19H,3-4,7,10-12H2,1-2H3
InChIKeyLSZJIVLKLAFZJD-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.67
Rot. Bonds9

About 3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol

3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol (PubChem CID 103948607) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol
PubChem CID103948607
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(CC)c1ccccc1F
InChIInChI=1S/C16H26FNO/c1-3-7-13(10-11-19)12-18-16(4-2)14-8-5-6-9-15(14)17/h5-6,8-9,13,16,18-19H,3-4,7,10-12H2,1-2H3
InChIKeyLSZJIVLKLAFZJD-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol
CID 106114619
3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 103948533
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
3-[1-(2-fluorophenyl)propylamino]-2-methylpropanenitrile
CID 112676990
3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
CID 103787460
(1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol
CID 99852082
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol
CID 112633066
[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol
CID 99820181
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
3-[(3-fluoro-2-nitroanilino)methyl]hexan-1-ol
CID 113244291
1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
CID 143236247

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol (CID 103948607) is 3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol is CCCC(CCO)CNC(CC)c1ccccc1F.
What is the InChIKey of 3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol?
The InChIKey is LSZJIVLKLAFZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-3-7-13(10-11-19)12-18-16(4-2)14-8-5-6-9-15(14)17/h5-6,8-9,13,16,18-19H,3-4,7,10-12H2,1-2H3.
What are the key properties of 3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol?
3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 3.67, 9 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]methyl]hexan-1-ol is sourced from PubChem (CID 103948607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).