2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol

C15H21F2NO — CID 82217055

IUPAC2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
SMILESCN(CC(O)c1cc(F)ccc1F)C1CCCCC1
InChIInChI=1S/C15H21F2NO/c1-18(12-5-3-2-4-6-12)10-15(19)13-9-11(16)7-8-14(13)17/h7-9,12,15,19H,2-6,10H2,1H3
InChIKeyGJCSEJFFLJGDIB-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.26
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol

2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol (PubChem CID 82217055) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
PubChem CID82217055
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
SMILESCN(CC(O)c1cc(F)ccc1F)C1CCCCC1
InChIInChI=1S/C15H21F2NO/c1-18(12-5-3-2-4-6-12)10-15(19)13-9-11(16)7-8-14(13)17/h7-9,12,15,19H,2-6,10H2,1H3
InChIKeyGJCSEJFFLJGDIB-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111114276
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol
CID 110897292
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
2-[cyclohexyl(methyl)amino]-1-(4-fluoro-3-nitrophenyl)ethanol
CID 82216795
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
2-[cyclopentyl(methyl)amino]-1-(3,5-dimethylphenyl)ethanol
CID 79040937

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol (CID 82217055) is 2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol is CN(CC(O)c1cc(F)ccc1F)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol?
The InChIKey is GJCSEJFFLJGDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-18(12-5-3-2-4-6-12)10-15(19)13-9-11(16)7-8-14(13)17/h7-9,12,15,19H,2-6,10H2,1H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol?
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol has a molecular weight of 269.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 82217055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).