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

C12H16ClNO — CID 59908318

IUPAC(2R)-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-/m0/s1
InChIKeyHKYWJQUMRFRDHA-NSHDSACASA-N
MW225.72 g/mol
LogP2.08
Rot. Bonds3

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

(2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol (PubChem CID 59908318) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol
PubChem CID59908318
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2R)-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-/m0/s1
InChIKeyHKYWJQUMRFRDHA-NSHDSACASA-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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Related Compounds

beta-Amino-4-chlorobenzenepropanol
CID 548289
(3S)-3-amino-3-(4-chlorophenyl)propan-1-ol
CID 25418153
DS-7250
CID 18464794
2-Amino-2-(4-chlorophenyl)ethan-1-ol
CID 14853195
3-Amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
3-Amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
2-Amino-3-(4-chlorophenyl)-2-methylpropan-1-ol
CID 3048993
(3S)-3-amino-3-(4-chlorophenyl)propan-1-ol hydrochloride
CID 46738188
3-Amino-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 62387669
(R)-2-Amino-2-(4-chlorophenyl)ethanol hydrochloride
CID 67033243
2-Amino-2-(4-chlorophenyl)ethan-1-ol hydrochloride
CID 67033245
(S)-2-amino-2-(4-chlorophenyl)ethanol hydrochloride
CID 68729838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol (CID 59908318) is (2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol is N[C@@H](CO)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of (2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol?
The InChIKey is HKYWJQUMRFRDHA-NSHDSACASA-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-/m0/s1.
What are the key properties of (2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol?
(2R)-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 (2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol is sourced from PubChem (CID 59908318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).