1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine

C17H26ClN — CID 5210

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IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyUNAANXDKBXWMLN-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.74
Rot. Bonds5

About 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine

1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine (PubChem CID 5210) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
PubChem CID5210
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyUNAANXDKBXWMLN-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Sibutramine Hydrochloride
CID 64764
Didesmethylsibutramine hydrochloride
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Clofilium
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A 31472
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(3S,4S)-4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine
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4-(4-Chlorophenyl)-1-propylpiperidine
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(-)-Sibutramine
CID 937011
Didesmethylsibutramine
CID 134772
N-Desmethylsibutramine
CID 10199199
Meridia
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(RS/SR)-2-[1-(4-chlorophenyl)pentyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine (CID 5210) is 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine is CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The InChIKey is UNAANXDKBXWMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 5210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).