[2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol

C15H21F2NO — CID 106361158

IUPAC[2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCC(F)(F)c1ccccc1
InChIInChI=1S/C15H21F2NO/c16-15(17,13-7-2-1-3-8-13)11-18-14-9-5-4-6-12(14)10-19/h1-3,7-8,12,14,18-19H,4-6,9-11H2
InChIKeyIYMIPEAWRBFBQX-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.92
Rot. Bonds5

About [2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol

[2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol (PubChem CID 106361158) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol
PubChem CID106361158
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCC(F)(F)c1ccccc1
InChIInChI=1S/C15H21F2NO/c16-15(17,13-7-2-1-3-8-13)11-18-14-9-5-4-6-12(14)10-19/h1-3,7-8,12,14,18-19H,4-6,9-11H2
InChIKeyIYMIPEAWRBFBQX-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol
CID 114178654
[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 99610237
[2-(2-phenylethylamino)cyclopentyl]methanol
CID 104864522
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide
CID 106364533
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine
CID 116790557
1,1,1-trifluoro-3-[[2-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 104934387
N-(2,2-difluoro-2-phenylethyl)-1,1-dioxothian-4-amine
CID 116788857
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol
CID 104934482
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 106362458
[2-(2-phenoxyethylamino)cyclopentyl]methanol
CID 106360671
N-(2,2-difluoro-2-phenylethyl)-1,1-dioxothiolan-3-amine
CID 116788690

Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol (CID 106361158) is [2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol is OCC1CCCCC1NCC(F)(F)c1ccccc1.
What is the InChIKey of [2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol?
The InChIKey is IYMIPEAWRBFBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-15(17,13-7-2-1-3-8-13)11-18-14-9-5-4-6-12(14)10-19/h1-3,7-8,12,14,18-19H,4-6,9-11H2.
What are the key properties of [2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol?
[2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol has a molecular weight of 269.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106361158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).