(2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol

C12H16ClNO — CID 59908336

IUPAC(2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol
SMILESN[C@H](CO)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C12H16ClNO/c13-10-4-2-9(3-5-10)12(6-1-7-12)11(14)8-15/h2-5,11,15H,1,6-8,14H2/t11-/m1/s1
InChIKeyHKYWJQUMRFRDHA-LLVKDONJSA-N
MW225.72 g/mol
LogP2.08
Rot. Bonds3

About (2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol

(2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol (PubChem CID 59908336) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol
PubChem CID59908336
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol
SMILESN[C@H](CO)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C12H16ClNO/c13-10-4-2-9(3-5-10)12(6-1-7-12)11(14)8-15/h2-5,11,15H,1,6-8,14H2/t11-/m1/s1
InChIKeyHKYWJQUMRFRDHA-LLVKDONJSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol (CID 59908336) is (2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol is N[C@H](CO)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of (2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol?
The InChIKey is HKYWJQUMRFRDHA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-10-4-2-9(3-5-10)12(6-1-7-12)11(14)8-15/h2-5,11,15H,1,6-8,14H2/t11-/m1/s1.
What are the key properties of (2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol?
(2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol has a molecular weight of 225.72 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol is sourced from PubChem (CID 59908336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).