3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine

C18H27NO2 — CID 66359518

IUPAC3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine
SMILESCCOc1ccccc1OC1CC(NC)C12CCCCC2
InChIInChI=1S/C18H27NO2/c1-3-20-14-9-5-6-10-15(14)21-17-13-16(19-2)18(17)11-7-4-8-12-18/h5-6,9-10,16-17,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyKYMJQHKTWCRRLC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.77
Rot. Bonds5

About 3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine

3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine (PubChem CID 66359518) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine
PubChem CID66359518
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine
SMILESCCOc1ccccc1OC1CC(NC)C12CCCCC2
InChIInChI=1S/C18H27NO2/c1-3-20-14-9-5-6-10-15(14)21-17-13-16(19-2)18(17)11-7-4-8-12-18/h5-6,9-10,16-17,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyKYMJQHKTWCRRLC-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine
CID 66359383
3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66358000
3-(2-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66357306
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116
N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357502
3-(2-bromo-4-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357153
3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66350265
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357529
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356924
3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359127
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine (CID 66359518) is 3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine is CCOc1ccccc1OC1CC(NC)C12CCCCC2.
What is the InChIKey of 3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine?
The InChIKey is KYMJQHKTWCRRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-20-14-9-5-6-10-15(14)21-17-13-16(19-2)18(17)11-7-4-8-12-18/h5-6,9-10,16-17,19H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine?
3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 66359518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).