(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine

C16H24ClN — CID 59908351

IUPAC(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine
SMILESCC[C@H](C)C[C@@H](N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H24ClN/c1-3-12(2)11-15(18)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11,18H2,1-2H3/t12-,15+/m0/s1
InChIKeyFYIPEXIVNYQLDG-SWLSCSKDSA-N
MW265.83 g/mol
LogP4.53
Rot. Bonds5

About (1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine

(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine (PubChem CID 59908351) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is (1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine.

Molecular Properties

Compound Name(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine
PubChem CID59908351
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine
SMILESCC[C@H](C)C[C@@H](N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H24ClN/c1-3-12(2)11-15(18)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11,18H2,1-2H3/t12-,15+/m0/s1
InChIKeyFYIPEXIVNYQLDG-SWLSCSKDSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Didesmethylsibutramine hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine?
The IUPAC name of (1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine (CID 59908351) is (1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine.
What is the SMILES notation for (1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine?
The canonical SMILES for (1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine is CC[C@H](C)C[C@@H](N)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of (1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine?
The InChIKey is FYIPEXIVNYQLDG-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-12(2)11-15(18)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11,18H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of (1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine?
(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine is sourced from PubChem (CID 59908351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).