3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine

C17H24ClNO — CID 66351177

IUPAC3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine
SMILESCCNC1CC(OCc2ccc(Cl)cc2)C12CCCC2
InChIInChI=1S/C17H24ClNO/c1-2-19-15-11-16(17(15)9-3-4-10-17)20-12-13-5-7-14(18)8-6-13/h5-8,15-16,19H,2-4,9-12H2,1H3
InChIKeyYDKQUVHPGZEZEE-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.17
Rot. Bonds5

About 3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine

3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine (PubChem CID 66351177) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine
PubChem CID66351177
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine
SMILESCCNC1CC(OCc2ccc(Cl)cc2)C12CCCC2
InChIInChI=1S/C17H24ClNO/c1-2-19-15-11-16(17(15)9-3-4-10-17)20-12-13-5-7-14(18)8-6-13/h5-8,15-16,19H,2-4,9-12H2,1H3
InChIKeyYDKQUVHPGZEZEE-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine
CID 82807037
3-bromo-1-[(4-chlorophenyl)methoxy]spiro[3.6]decane
CID 66343727
N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351553
3-(5-chloro-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350968
3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66359025
3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66350962
N-ethyl-3-(2,4,6-trichlorophenoxy)spiro[3.4]octan-1-amine
CID 66359462
3-(4-chloro-3-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 82717774
3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine
CID 66349861
N-ethyl-3-(4-methylphenoxy)spiro[3.4]octan-1-amine
CID 66359379
3-(4-chloro-3-ethylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66356846
N-ethyl-3-pentoxyspiro[3.4]octan-1-amine
CID 66356663

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine (CID 66351177) is 3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine is CCNC1CC(OCc2ccc(Cl)cc2)C12CCCC2.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine?
The InChIKey is YDKQUVHPGZEZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-2-19-15-11-16(17(15)9-3-4-10-17)20-12-13-5-7-14(18)8-6-13/h5-8,15-16,19H,2-4,9-12H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine?
3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine is sourced from PubChem (CID 66351177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).