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

C16H24ClNO — CID 19823628

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine
SMILESCOCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H24ClNO/c1-18(2)15(9-12-19-3)16(10-4-11-16)13-5-7-14(17)8-6-13/h5-8,15H,4,9-12H2,1-3H3
InChIKeyWXSIYUAHTYCIEB-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.73
Rot. Bonds6

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

1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine (PubChem CID 19823628) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine
PubChem CID19823628
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine
SMILESCOCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H24ClNO/c1-18(2)15(9-12-19-3)16(10-4-11-16)13-5-7-14(17)8-6-13/h5-8,15H,4,9-12H2,1-3H3
InChIKeyWXSIYUAHTYCIEB-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine (CID 19823628) is 1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine is COCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine?
The InChIKey is WXSIYUAHTYCIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-18(2)15(9-12-19-3)16(10-4-11-16)13-5-7-14(17)8-6-13/h5-8,15H,4,9-12H2,1-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine?
1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-3-methoxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 19823628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).