1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine

C13H17Cl2N — CID 53325028

IUPAC1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C13H17Cl2N/c1-16(2)9-13(6-3-7-13)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyMKEIWZZHDFWQBD-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.98
Rot. Bonds3

About 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine

1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine (PubChem CID 53325028) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
PubChem CID53325028
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C13H17Cl2N/c1-16(2)9-13(6-3-7-13)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyMKEIWZZHDFWQBD-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine (CID 53325028) is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine is CN(C)CC1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine?
The InChIKey is MKEIWZZHDFWQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-16(2)9-13(6-3-7-13)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine?
1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine has a molecular weight of 258.19 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 53325028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).