3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine

C17H24ClNO — CID 66350697

IUPAC3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine
SMILESCCNC1CC(Oc2ccc(C)cc2Cl)C12CCCC2
InChIInChI=1S/C17H24ClNO/c1-3-19-15-11-16(17(15)8-4-5-9-17)20-14-7-6-12(2)10-13(14)18/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3
InChIKeyWTSIGICMHYYGMS-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.34
Rot. Bonds4

About 3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine

3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine (PubChem CID 66350697) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine
PubChem CID66350697
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine
SMILESCCNC1CC(Oc2ccc(C)cc2Cl)C12CCCC2
InChIInChI=1S/C17H24ClNO/c1-3-19-15-11-16(17(15)8-4-5-9-17)20-14-7-6-12(2)10-13(14)18/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3
InChIKeyWTSIGICMHYYGMS-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.34
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
3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66352469
3-(4-bromo-2,5-dichlorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 107662308
N-ethyl-3-(4-methylphenoxy)spiro[3.4]octan-1-amine
CID 66359379
3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350264
3-(5-chloro-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350968
3-(2-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66351321
N-ethyl-3-(2,4,6-trichlorophenoxy)spiro[3.4]octan-1-amine
CID 66359462
3-(4-chloro-3-ethylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66356846
3-(2,4-difluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66357541
3-(4-chloro-3-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 82717774
3-(2-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66359577

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine?
The IUPAC name of 3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine (CID 66350697) is 3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine is CCNC1CC(Oc2ccc(C)cc2Cl)C12CCCC2.
What is the InChIKey of 3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine?
The InChIKey is WTSIGICMHYYGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-3-19-15-11-16(17(15)8-4-5-9-17)20-14-7-6-12(2)10-13(14)18/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine?
3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 4.34, 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-ethylspiro[3.4]octan-1-amine is sourced from PubChem (CID 66350697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).