4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol

C15H22ClNO — CID 10492080

IUPAC4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol
SMILESCC(CO)CC(N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H22ClNO/c1-11(10-18)9-14(17)15(7-2-8-15)12-3-5-13(16)6-4-12/h3-6,11,14,18H,2,7-10,17H2,1H3
InChIKeyXHDVFYPZKKBQMD-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.11
Rot. Bonds5

About 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol

4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol (PubChem CID 10492080) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol
PubChem CID10492080
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol
SMILESCC(CO)CC(N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H22ClNO/c1-11(10-18)9-14(17)15(7-2-8-15)12-3-5-13(16)6-4-12/h3-6,11,14,18H,2,7-10,17H2,1H3
InChIKeyXHDVFYPZKKBQMD-UHFFFAOYSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol?
The IUPAC name of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol (CID 10492080) is 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol.
What is the SMILES notation for 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol?
The canonical SMILES for 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol is CC(CO)CC(N)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol?
The InChIKey is XHDVFYPZKKBQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(10-18)9-14(17)15(7-2-8-15)12-3-5-13(16)6-4-12/h3-6,11,14,18H,2,7-10,17H2,1H3.
What are the key properties of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol?
4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-ol is sourced from PubChem (CID 10492080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).