3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine

C16H24ClNO2 — CID 79547861

IUPAC3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine
SMILESCCOC(CNC1CC(c2cccc(Cl)c2)C1)OCC
InChIInChI=1S/C16H24ClNO2/c1-3-19-16(20-4-2)11-18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,13,15-16,18H,3-4,9-11H2,1-2H3
InChIKeyHNRFBMWLXZUQOY-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.57
Rot. Bonds8

About 3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine

3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine (PubChem CID 79547861) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine
PubChem CID79547861
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine
SMILESCCOC(CNC1CC(c2cccc(Cl)c2)C1)OCC
InChIInChI=1S/C16H24ClNO2/c1-3-19-16(20-4-2)11-18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,13,15-16,18H,3-4,9-11H2,1-2H3
InChIKeyHNRFBMWLXZUQOY-UHFFFAOYSA-N
XLogP3.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine (CID 79547861) is 3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine is CCOC(CNC1CC(c2cccc(Cl)c2)C1)OCC.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine?
The InChIKey is HNRFBMWLXZUQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-3-19-16(20-4-2)11-18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,13,15-16,18H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine?
3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine is sourced from PubChem (CID 79547861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).