1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine

C18H28ClNO — CID 19823629

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine
SMILESCCOCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H28ClNO/c1-4-21-14-5-7-17(20(2)3)18(12-6-13-18)15-8-10-16(19)11-9-15/h8-11,17H,4-7,12-14H2,1-3H3
InChIKeyYJJUZNFATXILSG-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.51
Rot. Bonds8

About 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine

1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine (PubChem CID 19823629) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine
PubChem CID19823629
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine
SMILESCCOCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H28ClNO/c1-4-21-14-5-7-17(20(2)3)18(12-6-13-18)15-8-10-16(19)11-9-15/h8-11,17H,4-7,12-14H2,1-3H3
InChIKeyYJJUZNFATXILSG-UHFFFAOYSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine (CID 19823629) is 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine is CCOCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine?
The InChIKey is YJJUZNFATXILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-4-21-14-5-7-17(20(2)3)18(12-6-13-18)15-8-10-16(19)11-9-15/h8-11,17H,4-7,12-14H2,1-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine?
1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 4.51, 8 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]-4-ethoxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 19823629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).