[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium

C12H17ClNO+ — CID 59908317

IUPAC[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium
SMILES[NH3+][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/p+1/t11-/m0/s1
InChIKeyHKYWJQUMRFRDHA-NSHDSACASA-O
MW226.73 g/mol
LogP1.36
Rot. Bonds3

About [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium

[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium (PubChem CID 59908317) has the molecular formula C12H17ClNO+ and a molecular weight of 226.73 g/mol. Its IUPAC name is [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium
PubChem CID59908317
Molecular FormulaC12H17ClNO+
Molecular Weight226.73 g/mol
Exact Mass226.10
IUPAC Name[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium
SMILES[NH3+][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/p+1/t11-/m0/s1
InChIKeyHKYWJQUMRFRDHA-NSHDSACASA-O
XLogP1.36
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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DS-7250
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3-Amino-2-(4-chlorophenyl)propan-1-ol
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2-Amino-3-(4-chlorophenyl)-2-methylpropan-1-ol
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(3S)-3-amino-3-(4-chlorophenyl)propan-1-ol hydrochloride
CID 46738188
3-Amino-3-(4-chloro-3-fluorophenyl)propan-1-ol
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(R)-2-Amino-2-(4-chlorophenyl)ethanol hydrochloride
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2-Amino-2-(4-chlorophenyl)ethan-1-ol hydrochloride
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(S)-2-amino-2-(4-chlorophenyl)ethanol hydrochloride
CID 68729838

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium?
The IUPAC name of [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium (CID 59908317) is [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium.
What is the SMILES notation for [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium?
The canonical SMILES for [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium is [NH3+][C@@H](CO)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium?
The InChIKey is HKYWJQUMRFRDHA-NSHDSACASA-O. 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/p+1/t11-/m0/s1.
What are the key properties of [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium?
[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium has a molecular weight of 226.73 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium is sourced from PubChem (CID 59908317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).