3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine

C15H20BrNO — CID 107287279

IUPAC3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine
SMILESCc1ccc(Br)cc1OC1CC(N)C12CCCC2
InChIInChI=1S/C15H20BrNO/c1-10-4-5-11(16)8-12(10)18-14-9-13(17)15(14)6-2-3-7-15/h4-5,8,13-14H,2-3,6-7,9,17H2,1H3
InChIKeyNHUUCPFNZWORAI-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.80
Rot. Bonds2

About 3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine

3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine (PubChem CID 107287279) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine
PubChem CID107287279
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine
SMILESCc1ccc(Br)cc1OC1CC(N)C12CCCC2
InChIInChI=1S/C15H20BrNO/c1-10-4-5-11(16)8-12(10)18-14-9-13(17)15(14)6-2-3-7-15/h4-5,8,13-14H,2-3,6-7,9,17H2,1H3
InChIKeyNHUUCPFNZWORAI-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine
CID 66352704
3-(5-bromo-2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 114677220
3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine
CID 66357532
3-(2-bromo-4-methoxyphenoxy)spiro[3.5]nonan-1-amine
CID 104708728
3-(4-bromo-2-nitrophenoxy)spiro[3.4]octan-1-amine
CID 66350966
1-(4-bromo-2-methylphenoxy)-3-chlorospiro[3.6]decane
CID 66345790
3-(2-bromo-4-chlorophenoxy)spiro[3.4]octan-1-amine
CID 66357945
3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine
CID 66358567
3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66350265
3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350264
3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane
CID 102988661
1-(5-bromo-2-chlorophenoxy)-3-chlorospiro[3.6]decane
CID 66345592

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine?
The IUPAC name of 3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine (CID 107287279) is 3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine is Cc1ccc(Br)cc1OC1CC(N)C12CCCC2.
What is the InChIKey of 3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine?
The InChIKey is NHUUCPFNZWORAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10-4-5-11(16)8-12(10)18-14-9-13(17)15(14)6-2-3-7-15/h4-5,8,13-14H,2-3,6-7,9,17H2,1H3.
What are the key properties of 3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine?
3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine has a molecular weight of 310.24 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 107287279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).