3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine

C17H24BrNO — CID 66350265

IUPAC3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2ccc(Br)cc2C)C12CCCCC2
InChIInChI=1S/C17H24BrNO/c1-12-10-13(18)6-7-14(12)20-16-11-15(19-2)17(16)8-4-3-5-9-17/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3
InChIKeyMLFIAPUEUGKGQZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.45
Rot. Bonds3

About 3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine

3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine (PubChem CID 66350265) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
PubChem CID66350265
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2ccc(Br)cc2C)C12CCCCC2
InChIInChI=1S/C17H24BrNO/c1-12-10-13(18)6-7-14(12)20-16-11-15(19-2)17(16)8-4-3-5-9-17/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3
InChIKeyMLFIAPUEUGKGQZ-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350264
1-(4-bromo-2-methylphenoxy)-3-chlorospiro[3.6]decane
CID 66345790
3-(2-bromo-4-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357153
3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66358000
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116
N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine
CID 66358042
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356924
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926
3-(4-chloro-3,5-dimethylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359072
3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 107171641
3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66352469
3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 114677226

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine (CID 66350265) is 3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine is CNC1CC(Oc2ccc(Br)cc2C)C12CCCCC2.
What is the InChIKey of 3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine?
The InChIKey is MLFIAPUEUGKGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-12-10-13(18)6-7-14(12)20-16-11-15(19-2)17(16)8-4-3-5-9-17/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine?
3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine has a molecular weight of 338.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 66350265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).