(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol

C16H25NO — CID 171268340

IUPAC(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c([C@H](N)[C@H](O)C2CCCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-10-8-11(2)14(12(3)9-10)15(17)16(18)13-6-4-5-7-13/h8-9,13,15-16,18H,4-7,17H2,1-3H3/t15-,16+/m0/s1
InChIKeyDIWRVZAIRGTGDM-JKSUJKDBSA-N
MW247.38 g/mol
LogP3.16
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol

(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 171268340) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID171268340
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c([C@H](N)[C@H](O)C2CCCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-10-8-11(2)14(12(3)9-10)15(17)16(18)13-6-4-5-7-13/h8-9,13,15-16,18H,4-7,17H2,1-3H3/t15-,16+/m0/s1
InChIKeyDIWRVZAIRGTGDM-JKSUJKDBSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
CID 171266603
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
2-cyclopropyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 83154874
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol
CID 171270673
cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679603
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,3,5-triol
CID 171272047
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680816
(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride
CID 171270672

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol (CID 171268340) is (1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c([C@H](N)[C@H](O)C2CCCC2)c(C)c1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is DIWRVZAIRGTGDM-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-8-11(2)14(12(3)9-10)15(17)16(18)13-6-4-5-7-13/h8-9,13,15-16,18H,4-7,17H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol?
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 171268340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).