2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol

C16H25NO — CID 81386513

IUPAC2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
SMILESC[C@@H](NCC(O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-13(14-8-4-2-5-9-14)17-12-16(18)15-10-6-3-7-11-15/h3,6-7,10-11,13-14,16-18H,2,4-5,8-9,12H2,1H3/t13-,16?/m1/s1
InChIKeyLGDVGYLZAJSBBU-JBZHPUCOSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds5

About 2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol

2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol (PubChem CID 81386513) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
PubChem CID81386513
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
SMILESC[C@@H](NCC(O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-13(14-8-4-2-5-9-14)17-12-16(18)15-10-6-3-7-11-15/h3,6-7,10-11,13-14,16-18H,2,4-5,8-9,12H2,1H3/t13-,16?/m1/s1
InChIKeyLGDVGYLZAJSBBU-JBZHPUCOSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
2-(1-cyclohexylpropylamino)-1-phenylethanol
CID 62405750
2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
CID 81390203
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
(1R)-2-[[(S)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258708
(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258709
2-[[(1R)-1-cyclohexylethyl]amino]-1-(furan-2-yl)ethanol
CID 81384880
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol?
The IUPAC name of 2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol (CID 81386513) is 2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol is C[C@@H](NCC(O)c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol?
The InChIKey is LGDVGYLZAJSBBU-JBZHPUCOSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(14-8-4-2-5-9-14)17-12-16(18)15-10-6-3-7-11-15/h3,6-7,10-11,13-14,16-18H,2,4-5,8-9,12H2,1H3/t13-,16?/m1/s1.
What are the key properties of 2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol?
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol has a molecular weight of 247.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol is sourced from PubChem (CID 81386513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).