3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine

C17H26ClNO — CID 66357548

IUPAC3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2c(C)cc(Cl)cc2C)C1(C)CC
InChIInChI=1S/C17H26ClNO/c1-6-17(5)14(19-7-2)10-15(17)20-16-11(3)8-13(18)9-12(16)4/h8-9,14-15,19H,6-7,10H2,1-5H3
InChIKeyMVDYTWRIKQIAQE-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.50
Rot. Bonds5

About 3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine

3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine (PubChem CID 66357548) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
PubChem CID66357548
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2c(C)cc(Cl)cc2C)C1(C)CC
InChIInChI=1S/C17H26ClNO/c1-6-17(5)14(19-7-2)10-15(17)20-16-11(3)8-13(18)9-12(16)4/h8-9,14-15,19H,6-7,10H2,1-5H3
InChIKeyMVDYTWRIKQIAQE-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine (CID 66357548) is 3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine is CCNC1CC(Oc2c(C)cc(Cl)cc2C)C1(C)CC.
What is the InChIKey of 3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The InChIKey is MVDYTWRIKQIAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-6-17(5)14(19-7-2)10-15(17)20-16-11(3)8-13(18)9-12(16)4/h8-9,14-15,19H,6-7,10H2,1-5H3.
What are the key properties of 3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66357548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).