3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine

C14H19Cl2NO — CID 66357271

IUPAC3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2c(Cl)cccc2Cl)C1(C)C
InChIInChI=1S/C14H19Cl2NO/c1-4-17-11-8-12(14(11,2)3)18-13-9(15)6-5-7-10(13)16/h5-7,11-12,17H,4,8H2,1-3H3
InChIKeySABOKNNOUIZOHX-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.15
Rot. Bonds4

About 3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine

3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 66357271) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
PubChem CID66357271
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2c(Cl)cccc2Cl)C1(C)C
InChIInChI=1S/C14H19Cl2NO/c1-4-17-11-8-12(14(11,2)3)18-13-9(15)6-5-7-10(13)16/h5-7,11-12,17H,4,8H2,1-3H3
InChIKeySABOKNNOUIZOHX-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

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Related Compounds

3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66351139
N-ethyl-3-(2-methoxyphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358543
3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66357264
3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66352422
3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81267993
N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine
CID 66359159
3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66349862
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol
CID 66343530
N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66366424
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357294
N-ethyl-3-(2,4,6-trichlorophenoxy)spiro[3.4]octan-1-amine
CID 66359462

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine (CID 66357271) is 3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine is CCNC1CC(Oc2c(Cl)cccc2Cl)C1(C)C.
What is the InChIKey of 3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is SABOKNNOUIZOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-4-17-11-8-12(14(11,2)3)18-13-9(15)6-5-7-10(13)16/h5-7,11-12,17H,4,8H2,1-3H3.
What are the key properties of 3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
3-(2,6-dichlorophenoxy)-N-ethyl-2,2-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-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66357271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).