(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol

C18H29NO — CID 171270673

IUPAC(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol
SMILESCc1c(C)c(C)c([C@H](N)[C@H](O)C2CCCC2)c(C)c1C
InChIInChI=1S/C18H29NO/c1-10-11(2)13(4)16(14(5)12(10)3)17(19)18(20)15-8-6-7-9-15/h15,17-18,20H,6-9,19H2,1-5H3/t17-,18+/m0/s1
InChIKeySCIZMZXYZXKURX-ZWKOTPCHSA-N
MW275.44 g/mol
LogP3.78
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol

(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol (PubChem CID 171270673) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol
PubChem CID171270673
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol
SMILESCc1c(C)c(C)c([C@H](N)[C@H](O)C2CCCC2)c(C)c1C
InChIInChI=1S/C18H29NO/c1-10-11(2)13(4)16(14(5)12(10)3)17(19)18(20)15-8-6-7-9-15/h15,17-18,20H,6-9,19H2,1-5H3/t17-,18+/m0/s1
InChIKeySCIZMZXYZXKURX-ZWKOTPCHSA-N
XLogP3.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride
CID 171270672
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol
CID 171268340
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
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,3,5-triol
CID 171272047
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171269778
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
CID 171261814
(1S,2R)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264050
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429660

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol (CID 171270673) is (1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol is Cc1c(C)c(C)c([C@H](N)[C@H](O)C2CCCC2)c(C)c1C.
What is the InChIKey of (1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol?
The InChIKey is SCIZMZXYZXKURX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H29NO/c1-10-11(2)13(4)16(14(5)12(10)3)17(19)18(20)15-8-6-7-9-15/h15,17-18,20H,6-9,19H2,1-5H3/t17-,18+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol?
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol has a molecular weight of 275.44 g/mol, XLogP of 3.78, 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-(2,3,4,5,6-pentamethylphenyl)ethanol is sourced from PubChem (CID 171270673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).