N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine

C17H24BrNO — CID 65294226

IUPACN-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2c(C)cc(Br)cc2C)C12CCC2
InChIInChI=1S/C17H24BrNO/c1-4-20-15-10-14(17(15)6-5-7-17)19-16-11(2)8-13(18)9-12(16)3/h8-9,14-15,19H,4-7,10H2,1-3H3
InChIKeyPSSJPCVECFNKAR-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.83
Rot. Bonds4

About N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine

N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine (PubChem CID 65294226) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
PubChem CID65294226
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2c(C)cc(Br)cc2C)C12CCC2
InChIInChI=1S/C17H24BrNO/c1-4-20-15-10-14(17(15)6-5-7-17)19-16-11(2)8-13(18)9-12(16)3/h8-9,14-15,19H,4-7,10H2,1-3H3
InChIKeyPSSJPCVECFNKAR-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
CID 65294859
N-(4-bromo-3,5-dimethylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 107572197
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine
CID 103932375
5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine
CID 133353747
N-(4-bromo-2,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 107609814
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol
CID 106953950
N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167719
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine (CID 65294226) is N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine is CCOC1CC(Nc2c(C)cc(Br)cc2C)C12CCC2.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The InChIKey is PSSJPCVECFNKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-4-20-15-10-14(17(15)6-5-7-17)19-16-11(2)8-13(18)9-12(16)3/h8-9,14-15,19H,4-7,10H2,1-3H3.
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine has a molecular weight of 338.29 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).