3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine

C16H24ClN — CID 81423039

IUPAC3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine
SMILESCCNC1C(C)C(c2ccc(Cl)cc2)C1(C)CC
InChIInChI=1S/C16H24ClN/c1-5-16(4)14(11(3)15(16)18-6-2)12-7-9-13(17)10-8-12/h7-11,14-15,18H,5-6H2,1-4H3
InChIKeyNEADNVCNOWVWEE-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.47
Rot. Bonds4

About 3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine

3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine (PubChem CID 81423039) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine
PubChem CID81423039
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine
SMILESCCNC1C(C)C(c2ccc(Cl)cc2)C1(C)CC
InChIInChI=1S/C16H24ClN/c1-5-16(4)14(11(3)15(16)18-6-2)12-7-9-13(17)10-8-12/h7-11,14-15,18H,5-6H2,1-4H3
InChIKeyNEADNVCNOWVWEE-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine (CID 81423039) is 3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine is CCNC1C(C)C(c2ccc(Cl)cc2)C1(C)CC.
What is the InChIKey of 3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine?
The InChIKey is NEADNVCNOWVWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-5-16(4)14(11(3)15(16)18-6-2)12-7-9-13(17)10-8-12/h7-11,14-15,18H,5-6H2,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine?
3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81423039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).