[3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol

C15H21BrN2O — CID 61047647

IUPAC[3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESCN1C2CCC1CC(CO)(Nc1ccccc1Br)C2
InChIInChI=1S/C15H21BrN2O/c1-18-11-6-7-12(18)9-15(8-11,10-19)17-14-5-3-2-4-13(14)16/h2-5,11-12,17,19H,6-10H2,1H3
InChIKeyXRFGUQMQFVOAGT-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.85
Rot. Bonds3

About [3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol

[3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol (PubChem CID 61047647) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is [3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
PubChem CID61047647
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name[3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESCN1C2CCC1CC(CO)(Nc1ccccc1Br)C2
InChIInChI=1S/C15H21BrN2O/c1-18-11-6-7-12(18)9-15(8-11,10-19)17-14-5-3-2-4-13(14)16/h2-5,11-12,17,19H,6-10H2,1H3
InChIKeyXRFGUQMQFVOAGT-UHFFFAOYSA-N
XLogP2.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol
CID 64735169
3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 54887403
[1-(2-bromoanilino)-3-ethylcyclopentyl]methanol
CID 64514078
[1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol
CID 107430203
[8-methyl-3-(methylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61054110
[1-(2-bromoanilino)-4-propylcycloheptyl]methanol
CID 65090775
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline
CID 65383001
8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60992317
[3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 79046102
3-(2-fluoroanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60993756
[8-methyl-3-(2-methylpropylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61054946
N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline
CID 106661284

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The IUPAC name of [3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol (CID 61047647) is [3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol.
What is the SMILES notation for [3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The canonical SMILES for [3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol is CN1C2CCC1CC(CO)(Nc1ccccc1Br)C2.
What is the InChIKey of [3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The InChIKey is XRFGUQMQFVOAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-18-11-6-7-12(18)9-15(8-11,10-19)17-14-5-3-2-4-13(14)16/h2-5,11-12,17,19H,6-10H2,1H3.
What are the key properties of [3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
[3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol has a molecular weight of 325.25 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol is sourced from PubChem (CID 61047647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).