8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane

C14H17BrClN — CID 63762034

IUPAC8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane
SMILESClC1CC2CCC(C1)N2Cc1cccc(Br)c1
InChIInChI=1S/C14H17BrClN/c15-11-3-1-2-10(6-11)9-17-13-4-5-14(17)8-12(16)7-13/h1-3,6,12-14H,4-5,7-9H2
InChIKeyBYZYGJPIYSOQJU-UHFFFAOYSA-N
MW314.65 g/mol
LogP4.18
Rot. Bonds2

About 8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane

8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane (PubChem CID 63762034) has the molecular formula C14H17BrClN and a molecular weight of 314.65 g/mol. Its IUPAC name is 8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane
PubChem CID63762034
Molecular FormulaC14H17BrClN
Molecular Weight314.65 g/mol
Exact Mass313.02
IUPAC Name8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane
SMILESClC1CC2CCC(C1)N2Cc1cccc(Br)c1
InChIInChI=1S/C14H17BrClN/c15-11-3-1-2-10(6-11)9-17-13-4-5-14(17)8-12(16)7-13/h1-3,6,12-14H,4-5,7-9H2
InChIKeyBYZYGJPIYSOQJU-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.65
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
1-[(3-bromophenyl)methyl]-3-chloropyrrolidine
CID 63387822
2-[(3-bromophenyl)methyl]-2-azabicyclo[2.1.1]hexane
CID 84707605
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 12832203
1-[(3-bromophenyl)methyl]-2-(chloromethyl)pyrrolidine
CID 63388042
6-[(3-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 172901994
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
1-[(3-bromophenyl)methyl]-4-(chloromethyl)piperidine
CID 63387610
8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106516
1-[(3-bromophenyl)methyl]-2-(2-chloroethyl)piperidine
CID 63386960
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722

Frequently Asked Questions

What is the IUPAC name of 8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane (CID 63762034) is 8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane is ClC1CC2CCC(C1)N2Cc1cccc(Br)c1.
What is the InChIKey of 8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane?
The InChIKey is BYZYGJPIYSOQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN/c15-11-3-1-2-10(6-11)9-17-13-4-5-14(17)8-12(16)7-13/h1-3,6,12-14H,4-5,7-9H2.
What are the key properties of 8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane?
8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane has a molecular weight of 314.65 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 63762034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).