(2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol

C17H27NO — CID 103788694

IUPAC(2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol
SMILESCC1CC(N[C@@H](CO)c2ccccc2)CC(C)(C)C1
InChIInChI=1S/C17H27NO/c1-13-9-15(11-17(2,3)10-13)18-16(12-19)14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3/t13?,15?,16-/m0/s1
InChIKeyIHLMPZQRNWVNAU-BCLQGDPASA-N
MW261.41 g/mol
LogP3.52
Rot. Bonds4

About (2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol

(2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol (PubChem CID 103788694) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol
PubChem CID103788694
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol
SMILESCC1CC(N[C@@H](CO)c2ccccc2)CC(C)(C)C1
InChIInChI=1S/C17H27NO/c1-13-9-15(11-17(2,3)10-13)18-16(12-19)14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3/t13?,15?,16-/m0/s1
InChIKeyIHLMPZQRNWVNAU-BCLQGDPASA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Bicyclo(2.2.1)heptan-2-ylmethanamine hydrochloride
CID 135027
(R)-2-(benzylamino)butan-1-ol
CID 927306
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
N-methyl-1,2-diphenylethanolamine
CID 99708
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(+)-cis-2-Benzylaminocyclohexanemethanol
CID 853687
(-)-cis-2-Benzylaminocyclohexanemethanol
CID 853690
(2S)-2-(benzylamino)butan-1-ol
CID 927305
(1R,2R)-2-(benzylamino)cyclohexanol
CID 2724650
N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide
CID 55157876
N-Isobutyl-1,2-diphenylethanolamine
CID 3036007

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol (CID 103788694) is (2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol is CC1CC(N[C@@H](CO)c2ccccc2)CC(C)(C)C1.
What is the InChIKey of (2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol?
The InChIKey is IHLMPZQRNWVNAU-BCLQGDPASA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-15(11-17(2,3)10-13)18-16(12-19)14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3/t13?,15?,16-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol?
(2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol is sourced from PubChem (CID 103788694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).