(1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H19BrN2 — CID 29013389

IUPAC(1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@H]1CC(Nc1ccccc1Br)C2
InChIInChI=1S/C14H19BrN2/c1-17-11-6-7-12(17)9-10(8-11)16-14-5-3-2-4-13(14)15/h2-5,10-12,16H,6-9H2,1H3/t10?,11-,12+
InChIKeyBUVQHAVXIBTLGL-YOGCLGLASA-N
MW295.22 g/mol
LogP3.49
Rot. Bonds2

About (1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

(1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 29013389) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is (1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID29013389
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name(1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@H]1CC(Nc1ccccc1Br)C2
InChIInChI=1S/C14H19BrN2/c1-17-11-6-7-12(17)9-10(8-11)16-14-5-3-2-4-13(14)15/h2-5,10-12,16H,6-9H2,1H3/t10?,11-,12+
InChIKeyBUVQHAVXIBTLGL-YOGCLGLASA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 29013389) is (1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1[C@@H]2CC[C@H]1CC(Nc1ccccc1Br)C2.
What is the InChIKey of (1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BUVQHAVXIBTLGL-YOGCLGLASA-N. The full InChI is InChI=1S/C14H19BrN2/c1-17-11-6-7-12(17)9-10(8-11)16-14-5-3-2-4-13(14)15/h2-5,10-12,16H,6-9H2,1H3/t10?,11-,12+.
What are the key properties of (1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
(1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 295.22 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(2-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 29013389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).