2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol

C14H20FNO — CID 60714854

IUPAC2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1cccc(F)c1)C1CCCCC1O
InChIInChI=1S/C14H20FNO/c1-16(13-7-2-3-8-14(13)17)10-11-5-4-6-12(15)9-11/h4-6,9,13-14,17H,2-3,7-8,10H2,1H3
InChIKeyUYINXUKIBCXGML-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.56
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol

2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 60714854) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
PubChem CID60714854
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1cccc(F)c1)C1CCCCC1O
InChIInChI=1S/C14H20FNO/c1-16(13-7-2-3-8-14(13)17)10-11-5-4-6-12(15)9-11/h4-6,9,13-14,17H,2-3,7-8,10H2,1H3
InChIKeyUYINXUKIBCXGML-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile
CID 62967745
(3R,4R)-4-[(3-fluorophenyl)methyl-methylamino]-1,1-dioxothiolan-3-ol
CID 129365565
3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide
CID 102632464
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636476
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol
CID 102631680
trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol
CID 102731894
2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636615
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635668
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 91767128
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol (CID 60714854) is 2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol is CN(Cc1cccc(F)c1)C1CCCCC1O.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is UYINXUKIBCXGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-16(13-7-2-3-8-14(13)17)10-11-5-4-6-12(15)9-11/h4-6,9,13-14,17H,2-3,7-8,10H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol?
2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 60714854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).