2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol

C16H23F2NO2 — CID 62014264

IUPAC2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1OC(F)F)C1CCCCC1
InChIInChI=1S/C16H23F2NO2/c17-16(18)21-15-9-5-4-6-13(15)12-19(10-11-20)14-7-2-1-3-8-14/h4-6,9,14,16,20H,1-3,7-8,10-12H2
InChIKeyCDGPHVOBDLXHEL-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.41
Rot. Bonds7

About 2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol

2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol (PubChem CID 62014264) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
PubChem CID62014264
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1OC(F)F)C1CCCCC1
InChIInChI=1S/C16H23F2NO2/c17-16(18)21-15-9-5-4-6-13(15)12-19(10-11-20)14-7-2-1-3-8-14/h4-6,9,14,16,20H,1-3,7-8,10-12H2
InChIKeyCDGPHVOBDLXHEL-UHFFFAOYSA-N
XLogP3.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62016633
2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62022488
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
2-[cyclobutyl(naphthalen-1-ylmethyl)amino]ethanol
CID 102677069
N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine
CID 63300997
3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
CID 102848832
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
N-cyclopropyl-2-(difluoromethoxy)-N-(2-hydroxyethyl)benzamide
CID 43576922
N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
CID 66182713
2-[(2-chloro-4-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 60694126
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol (CID 62014264) is 2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol is OCCN(Cc1ccccc1OC(F)F)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol?
The InChIKey is CDGPHVOBDLXHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c17-16(18)21-15-9-5-4-6-13(15)12-19(10-11-20)14-7-2-1-3-8-14/h4-6,9,14,16,20H,1-3,7-8,10-12H2.
What are the key properties of 2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol?
2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol has a molecular weight of 299.36 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol is sourced from PubChem (CID 62014264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).