3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine

C16H21Cl2NO — CID 66359498

IUPAC3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2cc(Cl)cc(Cl)c2)C12CCCCC2
InChIInChI=1S/C16H21Cl2NO/c1-19-14-10-15(16(14)5-3-2-4-6-16)20-13-8-11(17)7-12(18)9-13/h7-9,14-15,19H,2-6,10H2,1H3
InChIKeyAKFKMRDYXQROGU-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.68
Rot. Bonds3

About 3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine

3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine (PubChem CID 66359498) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
PubChem CID66359498
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2cc(Cl)cc(Cl)c2)C12CCCCC2
InChIInChI=1S/C16H21Cl2NO/c1-19-14-10-15(16(14)5-3-2-4-6-16)20-13-8-11(17)7-12(18)9-13/h7-9,14-15,19H,2-6,10H2,1H3
InChIKeyAKFKMRDYXQROGU-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3,5-dimethylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359072
3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359127
3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 82717363
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356924
N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine
CID 66359517
3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357529
N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine
CID 66358042
3-(2-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66357306
3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357069
3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 107171641
3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine
CID 66349861
3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359518

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine (CID 66359498) is 3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine is CNC1CC(Oc2cc(Cl)cc(Cl)c2)C12CCCCC2.
What is the InChIKey of 3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine?
The InChIKey is AKFKMRDYXQROGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-19-14-10-15(16(14)5-3-2-4-6-16)20-13-8-11(17)7-12(18)9-13/h7-9,14-15,19H,2-6,10H2,1H3.
What are the key properties of 3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine?
3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine has a molecular weight of 314.26 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 66359498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).