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

C17H26ClN — CID 667542

IUPAC(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)C[C@@H](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/t16-/m1/s1
InChIKeyUNAANXDKBXWMLN-MRXNPFEDSA-N
MW279.86 g/mol
LogP4.74
Rot. Bonds5

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

(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine (PubChem CID 667542) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is (1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
PubChem CID667542
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)C[C@@H](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/t16-/m1/s1
InChIKeyUNAANXDKBXWMLN-MRXNPFEDSA-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

Analyze (1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sibutramine
CID 5210
Sibutramine Hydrochloride
CID 64764
Clofilium
CID 2798
Didesmethylsibutramine hydrochloride
CID 134771
Didesmethylsibutramine
CID 134772
Meridia
CID 64765
A 31472
CID 3038603
3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza-bicyclo[3.2.1]octane
CID 15679192
(3S,4S)-4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine
CID 9837874
4-(4-Chlorophenyl)-1-propylpiperidine
CID 70686262
(-)-Sibutramine
CID 937011
N-Desmethylsibutramine
CID 10199199

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The IUPAC name of (1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine (CID 667542) is (1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for (1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The canonical SMILES for (1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine is CC(C)C[C@@H](N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of (1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The InChIKey is UNAANXDKBXWMLN-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of (1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
(1R)-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 (1R)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 667542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).