[2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol

C15H21F2NO2 — CID 111468790

IUPAC[2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1ccccc1OC(F)F
InChIInChI=1S/C15H21F2NO2/c1-15(10-19)8-4-7-13(15)18-9-11-5-2-3-6-12(11)20-14(16)17/h2-3,5-6,13-14,18-19H,4,7-10H2,1H3
InChIKeyUQICIGOGXSPSFL-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.93
Rot. Bonds6

About [2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol

[2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol (PubChem CID 111468790) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is [2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol
PubChem CID111468790
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name[2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1ccccc1OC(F)F
InChIInChI=1S/C15H21F2NO2/c1-15(10-19)8-4-7-13(15)18-9-11-5-2-3-6-12(11)20-14(16)17/h2-3,5-6,13-14,18-19H,4,7-10H2,1H3
InChIKeyUQICIGOGXSPSFL-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468885
[2-[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]-1-methylcyclopentyl]methanol
CID 111468856
[1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol
CID 111468974
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 63277687
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
[2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol
CID 115655341
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560901
4-bromo-2-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]-6-methoxyphenol
CID 111468891
2-[[2-(difluoromethoxy)phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850513
2,2-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79861790
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861979

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol?
The IUPAC name of [2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol (CID 111468790) is [2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol is CC1(CO)CCCC1NCc1ccccc1OC(F)F.
What is the InChIKey of [2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol?
The InChIKey is UQICIGOGXSPSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-15(10-19)8-4-7-13(15)18-9-11-5-2-3-6-12(11)20-14(16)17/h2-3,5-6,13-14,18-19H,4,7-10H2,1H3.
What are the key properties of [2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol?
[2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol has a molecular weight of 285.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 111468790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).