(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol

C17H27NO — CID 103784113

IUPAC(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
SMILESCC(C)C1CCC(N[C@H](CO)c2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-13(2)14-8-10-16(11-9-14)18-17(12-19)15-6-4-3-5-7-15/h3-7,13-14,16-19H,8-12H2,1-2H3/t14?,16?,17-/m1/s1
InChIKeyHOCWDVAWHXTJFJ-BDVYOWHSSA-N
MW261.41 g/mol
LogP3.52
Rot. Bonds5

About (2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol

(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol (PubChem CID 103784113) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
PubChem CID103784113
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
SMILESCC(C)C1CCC(N[C@H](CO)c2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-13(2)14-8-10-16(11-9-14)18-17(12-19)15-6-4-3-5-7-15/h3-7,13-14,16-19H,8-12H2,1-2H3/t14?,16?,17-/m1/s1
InChIKeyHOCWDVAWHXTJFJ-BDVYOWHSSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103783988
2-[(3-ethylcyclopentyl)amino]-2-phenylethanol
CID 64500919
(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol
CID 107862243
(2S)-2-[(1,1-dioxothian-4-yl)amino]-2-phenylethanol
CID 114010168
(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
CID 103788767
2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol
CID 68776969
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol
CID 95026932
(2S)-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103784052
2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol
CID 115525129
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol (CID 103784113) is (2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol is CC(C)C1CCC(N[C@H](CO)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol?
The InChIKey is HOCWDVAWHXTJFJ-BDVYOWHSSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)14-8-10-16(11-9-14)18-17(12-19)15-6-4-3-5-7-15/h3-7,13-14,16-19H,8-12H2,1-2H3/t14?,16?,17-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol?
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol is sourced from PubChem (CID 103784113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).