2-(dicyclohexylamino)-1-phenylethanol

C20H31NO — CID 10946557

IUPAC2-(dicyclohexylamino)-1-phenylethanol
SMILESOC(CN(C1CCCCC1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C20H31NO/c22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,18-20,22H,2-3,6-9,12-16H2
InChIKeyKARKZTTXDGSKJW-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.69
Rot. Bonds5

About 2-(dicyclohexylamino)-1-phenylethanol

2-(dicyclohexylamino)-1-phenylethanol (PubChem CID 10946557) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-(dicyclohexylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(dicyclohexylamino)-1-phenylethanol
PubChem CID10946557
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name2-(dicyclohexylamino)-1-phenylethanol
SMILESOC(CN(C1CCCCC1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C20H31NO/c22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,18-20,22H,2-3,6-9,12-16H2
InChIKeyKARKZTTXDGSKJW-UHFFFAOYSA-N
XLogP4.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl-(2-hydroxy-2-phenylethyl)amino]acetamide
CID 47284555
4-(dicyclohexylamino)-1-phenylbut-2-yn-1-ol
CID 101372468
(1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol
CID 92858666
2-cyclopentyl-1-phenylethanol
CID 15629098
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
(R)-cycloheptyl(phenyl)methanol
CID 94502427
N,N-dibenzhydrylcyclohexanamine
CID 139723956
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688
cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
CID 2398315
3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclohexylamino)-1-phenylethanol?
The IUPAC name of 2-(dicyclohexylamino)-1-phenylethanol (CID 10946557) is 2-(dicyclohexylamino)-1-phenylethanol.
What is the SMILES notation for 2-(dicyclohexylamino)-1-phenylethanol?
The canonical SMILES for 2-(dicyclohexylamino)-1-phenylethanol is OC(CN(C1CCCCC1)C1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(dicyclohexylamino)-1-phenylethanol?
The InChIKey is KARKZTTXDGSKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,18-20,22H,2-3,6-9,12-16H2.
What are the key properties of 2-(dicyclohexylamino)-1-phenylethanol?
2-(dicyclohexylamino)-1-phenylethanol has a molecular weight of 301.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclohexylamino)-1-phenylethanol is sourced from PubChem (CID 10946557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).