8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H19BrN2O — CID 114879692

IUPAC8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNCc1c(Br)cccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C14H19BrN2O/c15-13-2-1-3-14(12(13)8-16)17-9-4-5-10(17)7-11(18)6-9/h1-3,9-11,18H,4-8,16H2
InChIKeyWFWOHUNANQVJSN-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.40
Rot. Bonds2

About 8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 114879692) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID114879692
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNCc1c(Br)cccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C14H19BrN2O/c15-13-2-1-3-14(12(13)8-16)17-9-4-5-10(17)7-11(18)6-9/h1-3,9-11,18H,4-8,16H2
InChIKeyWFWOHUNANQVJSN-UHFFFAOYSA-N
XLogP2.40
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 114879416
1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
CID 114879806
[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 114879651
3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol
CID 114879720
8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104540402
8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 107639345
8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114016658
8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763222
8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 103958938
[2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 114879719
[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine
CID 114879785
2-chloro-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidamide
CID 63762400

Frequently Asked Questions

What is the IUPAC name of 8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 114879692) is 8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol is NCc1c(Br)cccc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WFWOHUNANQVJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-13-2-1-3-14(12(13)8-16)17-9-4-5-10(17)7-11(18)6-9/h1-3,9-11,18H,4-8,16H2.
What are the key properties of 8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 311.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 114879692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).