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

C15H22ClNO — CID 66351139

IUPAC3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(C)cc2Cl)C1(C)C
InChIInChI=1S/C15H22ClNO/c1-5-17-13-9-14(15(13,3)4)18-12-7-6-10(2)8-11(12)16/h6-8,13-14,17H,5,9H2,1-4H3
InChIKeyJFNQIHZXKXILLX-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.80
Rot. Bonds4

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

3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 66351139) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
PubChem CID66351139
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(C)cc2Cl)C1(C)C
InChIInChI=1S/C15H22ClNO/c1-5-17-13-9-14(15(13,3)4)18-12-7-6-10(2)8-11(12)16/h6-8,13-14,17H,5,9H2,1-4H3
InChIKeyJFNQIHZXKXILLX-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66350697
3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357271
N-ethyl-3-(2-methoxyphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358543
3-(5-bromo-2-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114677211
2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63500202
3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66352422
N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358965
6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79834544
N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine
CID 66359159
2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63500386
3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357740
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine (CID 66351139) is 3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine is CCNC1CC(Oc2ccc(C)cc2Cl)C1(C)C.
What is the InChIKey of 3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is JFNQIHZXKXILLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-5-17-13-9-14(15(13,3)4)18-12-7-6-10(2)8-11(12)16/h6-8,13-14,17H,5,9H2,1-4H3.
What are the key properties of 3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66351139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).