4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol

C16H24ClNO — CID 19823618

IUPAC4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol
SMILESCC(C(N)C1(c2ccc(Cl)cc2)CCC1)C(C)(C)O
InChIInChI=1S/C16H24ClNO/c1-11(15(2,3)19)14(18)16(9-4-10-16)12-5-7-13(17)8-6-12/h5-8,11,14,19H,4,9-10,18H2,1-3H3
InChIKeyXCHNQICDCKAXOC-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.50
Rot. Bonds4

About 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol

4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol (PubChem CID 19823618) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol
PubChem CID19823618
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol
SMILESCC(C(N)C1(c2ccc(Cl)cc2)CCC1)C(C)(C)O
InChIInChI=1S/C16H24ClNO/c1-11(15(2,3)19)14(18)16(9-4-10-16)12-5-7-13(17)8-6-12/h5-8,11,14,19H,4,9-10,18H2,1-3H3
InChIKeyXCHNQICDCKAXOC-UHFFFAOYSA-N
XLogP3.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Didesmethylsibutramine
CID 134772
(-)-Didesmethylsibutramine
CID 9794968
Didesmethylsibutramine, (+)-
CID 9900576
1-(4-Chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029511
delta-Amino-1-(4-chlorophenyl)-beta-methylcyclobutanebutanol
CID 10492080
1-Amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
CID 19823685
4-Amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,1-trifluoro-2-methylbutan-2-ol
CID 19823766
1-Amino-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823805
1-Amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823854
4-Amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol
CID 70467769
1-(4-Chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol
CID 14852886
1-(4-Chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559970

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol?
The IUPAC name of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol (CID 19823618) is 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol is CC(C(N)C1(c2ccc(Cl)cc2)CCC1)C(C)(C)O.
What is the InChIKey of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol?
The InChIKey is XCHNQICDCKAXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(15(2,3)19)14(18)16(9-4-10-16)12-5-7-13(17)8-6-12/h5-8,11,14,19H,4,9-10,18H2,1-3H3.
What are the key properties of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol?
4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol has a molecular weight of 281.83 g/mol, XLogP of 3.50, 4 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]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 19823618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).