3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine

C14H19Cl2NO — CID 66357327

IUPAC3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-4-14(2)12(17-3)8-13(14)18-11-6-5-9(15)7-10(11)16/h5-7,12-13,17H,4,8H2,1-3H3
InChIKeyDWHAERIJPVQKOD-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.15
Rot. Bonds4

About 3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine

3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine (PubChem CID 66357327) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
PubChem CID66357327
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-4-14(2)12(17-3)8-13(14)18-11-6-5-9(15)7-10(11)16/h5-7,12-13,17H,4,8H2,1-3H3
InChIKeyDWHAERIJPVQKOD-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66357326
3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357069
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356924
3-(2-chloro-5-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66353129
2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357504
3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66352042
3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66350520
3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66358502
2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357331
3-(4-bromo-2,5-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 107662304
3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66350709
3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66352678

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine (CID 66357327) is 3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The InChIKey is DWHAERIJPVQKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-4-14(2)12(17-3)8-13(14)18-11-6-5-9(15)7-10(11)16/h5-7,12-13,17H,4,8H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine has a molecular weight of 288.22 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66357327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).