8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C17H25BrN2 — CID 107579254

IUPAC8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H25BrN2/c1-4-19-13-9-14-5-6-15(10-13)20(14)16-7-11(2)17(18)12(3)8-16/h7-8,13-15,19H,4-6,9-10H2,1-3H3
InChIKeyGXAGBKUCVRXCNP-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.18
Rot. Bonds3

About 8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107579254) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107579254
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H25BrN2/c1-4-19-13-9-14-5-6-15(10-13)20(14)16-7-11(2)17(18)12(3)8-16/h7-8,13-15,19H,4-6,9-10H2,1-3H3
InChIKeyGXAGBKUCVRXCNP-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739467
N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740321
9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713793
9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 82859648
N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739482
9-(3,5-dichloro-4-fluorophenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107579272
N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739107
8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107639352
8-(4-bromo-2,5-difluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107617029
8-(4-bromo-2-chlorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740346
8-(4-chloro-3-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106769
9-(3-chloro-5-fluorophenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107370684

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 107579254) is 8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GXAGBKUCVRXCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-4-19-13-9-14-5-6-15(10-13)20(14)16-7-11(2)17(18)12(3)8-16/h7-8,13-15,19H,4-6,9-10H2,1-3H3.
What are the key properties of 8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 337.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107579254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).