(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol

C16H25NO — CID 107093789

IUPAC(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol
SMILESCC1CC(C)(C)CC1N[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-12-9-16(2,3)10-14(12)17-15(11-18)13-7-5-4-6-8-13/h4-8,12,14-15,17-18H,9-11H2,1-3H3/t12?,14?,15-/m0/s1
InChIKeyDTOZMMPPSPSULF-ZALBZXLWSA-N
MW247.38 g/mol
LogP3.13
Rot. Bonds4

About (2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol

(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol (PubChem CID 107093789) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol
PubChem CID107093789
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol
SMILESCC1CC(C)(C)CC1N[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-12-9-16(2,3)10-14(12)17-15(11-18)13-7-5-4-6-8-13/h4-8,12,14-15,17-18H,9-11H2,1-3H3/t12?,14?,15-/m0/s1
InChIKeyDTOZMMPPSPSULF-ZALBZXLWSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 106662456
2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
CID 106661989
(2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol
CID 103788694
2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid
CID 106662453
N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106661950
2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol
CID 107862265
2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
CID 115400798
2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol
CID 82797031
(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
CID 107862211

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol (CID 107093789) is (2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol is CC1CC(C)(C)CC1N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol?
The InChIKey is DTOZMMPPSPSULF-ZALBZXLWSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-9-16(2,3)10-14(12)17-15(11-18)13-7-5-4-6-8-13/h4-8,12,14-15,17-18H,9-11H2,1-3H3/t12?,14?,15-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol?
(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.13, 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-[(2,4,4-trimethylcyclopentyl)amino]ethanol is sourced from PubChem (CID 107093789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).