N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C17H25BrN2 — CID 63423005

IUPACN-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2Nc1ccccc1Br
InChIInChI=1S/C17H25BrN2/c1-12(2)20-10-13-6-5-7-14(11-20)17(13)19-16-9-4-3-8-15(16)18/h3-4,8-9,12-14,17,19H,5-7,10-11H2,1-2H3
InChIKeyADHWHSXKEKOPLW-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.37
Rot. Bonds3

About N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 63423005) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID63423005
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2Nc1ccccc1Br
InChIInChI=1S/C17H25BrN2/c1-12(2)20-10-13-6-5-7-14(11-20)17(13)19-16-9-4-3-8-15(16)18/h3-4,8-9,12-14,17,19H,5-7,10-11H2,1-2H3
InChIKeyADHWHSXKEKOPLW-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 52934003
N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 53302872
(3-endo)-N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 53255098
US10233152, Example 86
CID 129279704
N-(2-bromophenyl)adamantan-2-amine
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CID 29270197
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CID 4541415
N-(4-Bromophenyl)-1-phenethylpiperidin-4-amine
CID 162623974
1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine
CID 2169041
2-bromo-N-[(2S)-4-methylpentan-2-yl]aniline
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2-bromo-N-{2-[3-(2-aminoethyl)adamantan-1-yl]ethyl}aniline
CID 129742340

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 63423005) is N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is ADHWHSXKEKOPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-12(2)20-10-13-6-5-7-14(11-20)17(13)19-16-9-4-3-8-15(16)18/h3-4,8-9,12-14,17,19H,5-7,10-11H2,1-2H3.
What are the key properties of N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 337.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 63423005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).