3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine

C15H21Cl2NO — CID 66356998

IUPAC3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C15H21Cl2NO/c1-4-15(5-2)12(18-3)9-13(15)19-11-8-6-7-10(16)14(11)17/h6-8,12-13,18H,4-5,9H2,1-3H3
InChIKeyMJMSHARBQONTJB-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.54
Rot. Bonds5

About 3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine

3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine (PubChem CID 66356998) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
PubChem CID66356998
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C15H21Cl2NO/c1-4-15(5-2)12(18-3)9-13(15)19-11-8-6-7-10(16)14(11)17/h6-8,12-13,18H,4-5,9H2,1-3H3
InChIKeyMJMSHARBQONTJB-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine (CID 66356998) is 3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine is CCC1(CC)C(NC)CC1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine?
The InChIKey is MJMSHARBQONTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-4-15(5-2)12(18-3)9-13(15)19-11-8-6-7-10(16)14(11)17/h6-8,12-13,18H,4-5,9H2,1-3H3.
What are the key properties of 3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine?
3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine has a molecular weight of 302.24 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine is sourced from PubChem (CID 66356998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).