3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine

C17H24ClNO — CID 66349861

IUPAC3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine
SMILESCNC1CC(OCc2cccc(Cl)c2)C12CCCCC2
InChIInChI=1S/C17H24ClNO/c1-19-15-11-16(17(15)8-3-2-4-9-17)20-12-13-6-5-7-14(18)10-13/h5-7,10,15-16,19H,2-4,8-9,11-12H2,1H3
InChIKeyJDLXZBIPGRPBSD-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.17
Rot. Bonds4

About 3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine

3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine (PubChem CID 66349861) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine
PubChem CID66349861
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine
SMILESCNC1CC(OCc2cccc(Cl)c2)C12CCCCC2
InChIInChI=1S/C17H24ClNO/c1-19-15-11-16(17(15)8-3-2-4-9-17)20-12-13-6-5-7-14(18)10-13/h5-7,10,15-16,19H,2-4,8-9,11-12H2,1H3
InChIKeyJDLXZBIPGRPBSD-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine
CID 82807158
3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66350520
3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66359025
3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66349862
3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine
CID 66351177
3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359498
3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359127
3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol
CID 95971660
1-[(3-bromophenyl)methoxy]-3-chlorospiro[3.5]nonane
CID 82825044
3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine
CID 82825839
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-(2-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66357306

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine (CID 66349861) is 3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine is CNC1CC(OCc2cccc(Cl)c2)C12CCCCC2.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine?
The InChIKey is JDLXZBIPGRPBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-19-15-11-16(17(15)8-3-2-4-9-17)20-12-13-6-5-7-14(18)10-13/h5-7,10,15-16,19H,2-4,8-9,11-12H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine?
3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 66349861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).