3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine

C14H20ClNO — CID 66356904

IUPAC3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-3-14(4-2)12(16)9-13(14)17-11-8-6-5-7-10(11)15/h5-8,12-13H,3-4,9,16H2,1-2H3
InChIKeyNMWAXEDWCHWMFA-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.62
Rot. Bonds4

About 3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine

3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine (PubChem CID 66356904) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine
PubChem CID66356904
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-3-14(4-2)12(16)9-13(14)17-11-8-6-5-7-10(11)15/h5-8,12-13H,3-4,9,16H2,1-2H3
InChIKeyNMWAXEDWCHWMFA-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-chlorophenoxy)-2,2-diethylcyclobutan-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-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66359693
2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 66359569
3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66350938
3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine
CID 66358090
3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66357326
3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine
CID 115403053
3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 66356998
2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine
CID 66351324
3-(2-chlorophenoxy)cyclobutan-1-amine
CID 66356902
1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-ethylbenzene
CID 66344287
1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene
CID 66345059
3-(2,5-dimethyl-4-nitrophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66352230

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine (CID 66356904) is 3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine is CCC1(CC)C(N)CC1Oc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine?
The InChIKey is NMWAXEDWCHWMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-14(4-2)12(16)9-13(14)17-11-8-6-5-7-10(11)15/h5-8,12-13H,3-4,9,16H2,1-2H3.
What are the key properties of 3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine?
3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine is sourced from PubChem (CID 66356904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).