(1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane

C12H14BrN — CID 164585492

IUPAC(1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane
SMILESBrc1ccc([C@@H]2C[C@H]3CN[C@@H]2C3)cc1
InChIInChI=1S/C12H14BrN/c13-10-3-1-9(2-4-10)11-5-8-6-12(11)14-7-8/h1-4,8,11-12,14H,5-7H2/t8-,11+,12-/m1/s1
InChIKeyUCHBPHMNBGOQJK-JFUSQASVSA-N
MW252.15 g/mol
LogP2.91
Rot. Bonds1

About (1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane

(1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 164585492) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is (1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane
PubChem CID164585492
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name(1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane
SMILESBrc1ccc([C@@H]2C[C@H]3CN[C@@H]2C3)cc1
InChIInChI=1S/C12H14BrN/c13-10-3-1-9(2-4-10)11-5-8-6-12(11)14-7-8/h1-4,8,11-12,14H,5-7H2/t8-,11+,12-/m1/s1
InChIKeyUCHBPHMNBGOQJK-JFUSQASVSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)cyclopropan-1-amine
CID 21190524
2-(4-bromophenyl)-4-fluoropyrrolidine
CID 84728357
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CID 95365874
(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
CID 124828711
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
2-(4-bromophenyl)cyclobutan-1-ol
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(2S)-2-(4-bromophenyl)azetidine
CID 91980119
4-(4-bromophenyl)-3-propan-2-ylpiperidine
CID 79321311
[(3S,4R)-4-(4-bromophenyl)pyrrolidin-3-yl]methanol
CID 129375178
[(3S,4S)-4-(4-bromophenyl)pyrrolidin-3-yl]methanol
CID 129408301
3-(4-bromophenyl)-2-propan-2-ylpyrrolidine
CID 82379536
2-[2-(4-bromophenyl)cyclopropyl]propanenitrile
CID 174683371

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane (CID 164585492) is (1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane is Brc1ccc([C@@H]2C[C@H]3CN[C@@H]2C3)cc1.
What is the InChIKey of (1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is UCHBPHMNBGOQJK-JFUSQASVSA-N. The full InChI is InChI=1S/C12H14BrN/c13-10-3-1-9(2-4-10)11-5-8-6-12(11)14-7-8/h1-4,8,11-12,14H,5-7H2/t8-,11+,12-/m1/s1.
What are the key properties of (1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane?
(1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 252.15 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 164585492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).