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

C16H24ClNO — CID 104530299

IUPAC4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNO/c1-16(2,7-8-19)11-18-15-9-13(10-15)12-3-5-14(17)6-4-12/h3-6,13,15,18-19H,7-11H2,1-2H3
InChIKeyZPPZNQJNWHHYCJ-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.58
Rot. Bonds6

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

4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 104530299) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol
PubChem CID104530299
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNO/c1-16(2,7-8-19)11-18-15-9-13(10-15)12-3-5-14(17)6-4-12/h3-6,13,15,18-19H,7-11H2,1-2H3
InChIKeyZPPZNQJNWHHYCJ-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol with MolForge

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Related Compounds

N-Desmethylsibutramine
CID 10199199
(1R)-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-(4-ethoxybutyl)-3-methylbutan-1-amine
CID 71600027
(1R)-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-(4-methoxybutyl)-3-methylbutan-1-amine
CID 89928835
US11214540, Example 5
CID 142475100
US11214540, Example 16
CID 142475102
DS-7250
CID 18464794
Desmethylsibutramine hydrochloride
CID 13083195
(alphaS)-1-(4-Chlorophenyl)-N-methyl-alpha-(2-methylpropyl)cyclobutanemethanamine
CID 9838199
Etolorex
CID 208943
US11214540, Example 42
CID 142475349
US11214540, Example 48
CID 155139081
(2S,3S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-methylpentan-1-ol
CID 45933045

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol (CID 104530299) is 4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is ZPPZNQJNWHHYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-16(2,7-8-19)11-18-15-9-13(10-15)12-3-5-14(17)6-4-12/h3-6,13,15,18-19H,7-11H2,1-2H3.
What are the key properties of 4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol?
4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 281.83 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 104530299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).