1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine

C15H21Cl2N — CID 137332991

IUPAC1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1(c2cccc(Cl)c2Cl)CCC1
InChIInChI=1S/C15H21Cl2N/c1-10(2)9-13(18)15(7-4-8-15)11-5-3-6-12(16)14(11)17/h3,5-6,10,13H,4,7-9,18H2,1-2H3
InChIKeyWZAJWLKHFQTMIP-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.79
Rot. Bonds4

About 1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine

1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine (PubChem CID 137332991) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine
PubChem CID137332991
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1(c2cccc(Cl)c2Cl)CCC1
InChIInChI=1S/C15H21Cl2N/c1-10(2)9-13(18)15(7-4-8-15)11-5-3-6-12(16)14(11)17/h3,5-6,10,13H,4,7-9,18H2,1-2H3
InChIKeyWZAJWLKHFQTMIP-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine?
The IUPAC name of 1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine (CID 137332991) is 1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine is CC(C)CC(N)C1(c2cccc(Cl)c2Cl)CCC1.
What is the InChIKey of 1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine?
The InChIKey is WZAJWLKHFQTMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-10(2)9-13(18)15(7-4-8-15)11-5-3-6-12(16)14(11)17/h3,5-6,10,13H,4,7-9,18H2,1-2H3.
What are the key properties of 1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine?
1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine is sourced from PubChem (CID 137332991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).