1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine

C17H26ClNO — CID 19823720

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine
SMILESCNC(CCCCOC)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClNO/c1-19-16(6-3-4-13-20-2)17(11-5-12-17)14-7-9-15(18)10-8-14/h7-10,16,19H,3-6,11-13H2,1-2H3
InChIKeyGHUSZAHDRXALPA-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.17
Rot. Bonds8

About 1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine

1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine (PubChem CID 19823720) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine
PubChem CID19823720
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine
SMILESCNC(CCCCOC)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClNO/c1-19-16(6-3-4-13-20-2)17(11-5-12-17)14-7-9-15(18)10-8-14/h7-10,16,19H,3-6,11-13H2,1-2H3
InChIKeyGHUSZAHDRXALPA-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.17
H-Bond Donors ≤ 51
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]-5-methoxy-N-methylpentan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine (CID 19823720) is 1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine is CNC(CCCCOC)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine?
The InChIKey is GHUSZAHDRXALPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-19-16(6-3-4-13-20-2)17(11-5-12-17)14-7-9-15(18)10-8-14/h7-10,16,19H,3-6,11-13H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine?
1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine is sourced from PubChem (CID 19823720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).