1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol

C16H24ClNO — CID 19823653

IUPAC1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol
SMILESCCC(C)(O)CC(N)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H24ClNO/c1-3-15(2,19)11-14(18)16(8-5-9-16)12-6-4-7-13(17)10-12/h4,6-7,10,14,19H,3,5,8-9,11,18H2,1-2H3
InChIKeyOEKZGFCGLBKONC-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.64
Rot. Bonds5

About 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol

1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol (PubChem CID 19823653) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol
PubChem CID19823653
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol
SMILESCCC(C)(O)CC(N)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H24ClNO/c1-3-15(2,19)11-14(18)16(8-5-9-16)12-6-4-7-13(17)10-12/h4,6-7,10,14,19H,3,5,8-9,11,18H2,1-2H3
InChIKeyOEKZGFCGLBKONC-UHFFFAOYSA-N
XLogP3.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The IUPAC name of 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol (CID 19823653) is 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol.
What is the SMILES notation for 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The canonical SMILES for 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol is CCC(C)(O)CC(N)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The InChIKey is OEKZGFCGLBKONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-15(2,19)11-14(18)16(8-5-9-16)12-6-4-7-13(17)10-12/h4,6-7,10,14,19H,3,5,8-9,11,18H2,1-2H3.
What are the key properties of 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol?
1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol has a molecular weight of 281.83 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[1-(3-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol is sourced from PubChem (CID 19823653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).