3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine

C17H25Cl2NO — CID 66357264

IUPAC3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2c(Cl)cccc2Cl)C1(CC)CC
InChIInChI=1S/C17H25Cl2NO/c1-4-10-20-14-11-15(17(14,5-2)6-3)21-16-12(18)8-7-9-13(16)19/h7-9,14-15,20H,4-6,10-11H2,1-3H3
InChIKeyOLJPROZVKRDXPI-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.32
Rot. Bonds7

About 3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine

3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine (PubChem CID 66357264) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
PubChem CID66357264
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2c(Cl)cccc2Cl)C1(CC)CC
InChIInChI=1S/C17H25Cl2NO/c1-4-10-20-14-11-15(17(14,5-2)6-3)21-16-12(18)8-7-9-13(16)19/h7-9,14-15,20H,4-6,10-11H2,1-3H3
InChIKeyOLJPROZVKRDXPI-UHFFFAOYSA-N
XLogP5.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine
CID 66357441
3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66359693
2,2-diethyl-3-(2-ethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358462
3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357271
3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81267993
3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 66356998
2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine
CID 66357579
2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine
CID 66353076
3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine
CID 82808639
3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66356852
3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66350709
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol
CID 66343530

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine (CID 66357264) is 3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2c(Cl)cccc2Cl)C1(CC)CC.
What is the InChIKey of 3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine?
The InChIKey is OLJPROZVKRDXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-4-10-20-14-11-15(17(14,5-2)6-3)21-16-12(18)8-7-9-13(16)19/h7-9,14-15,20H,4-6,10-11H2,1-3H3.
What are the key properties of 3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine?
3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine has a molecular weight of 330.30 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66357264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).