5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline

C14H21BrN2 — CID 114592015

IUPAC5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline
SMILESCC1CC(C)C(C)N(c2ccc(Br)cc2N)C1
InChIInChI=1S/C14H21BrN2/c1-9-6-10(2)11(3)17(8-9)14-5-4-12(15)7-13(14)16/h4-5,7,9-11H,6,8,16H2,1-3H3
InChIKeyPUDGYJNDRYIOSU-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.90
Rot. Bonds1

About 5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline

5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline (PubChem CID 114592015) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline
PubChem CID114592015
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline
SMILESCC1CC(C)C(C)N(c2ccc(Br)cc2N)C1
InChIInChI=1S/C14H21BrN2/c1-9-6-10(2)11(3)17(8-9)14-5-4-12(15)7-13(14)16/h4-5,7,9-11H,6,8,16H2,1-3H3
InChIKeyPUDGYJNDRYIOSU-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
CID 114592010
3-iodo-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114591976
[3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114592128
2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592004
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114594256
4-ethoxy-5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592031
(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939708
1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol
CID 102955441
6-(trifluoromethyl)-4-(2,3,5-trimethylpiperidin-1-yl)pyridin-3-amine
CID 106748120
[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol
CID 114054514
5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)benzoic acid
CID 114896030
1-[4-(chloromethyl)-2-(trifluoromethyl)phenyl]-2,3,5-trimethylpiperidine
CID 114594078

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline?
The IUPAC name of 5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline (CID 114592015) is 5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline.
What is the SMILES notation for 5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline?
The canonical SMILES for 5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline is CC1CC(C)C(C)N(c2ccc(Br)cc2N)C1.
What is the InChIKey of 5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline?
The InChIKey is PUDGYJNDRYIOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-9-6-10(2)11(3)17(8-9)14-5-4-12(15)7-13(14)16/h4-5,7,9-11H,6,8,16H2,1-3H3.
What are the key properties of 5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline?
5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline has a molecular weight of 297.24 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline is sourced from PubChem (CID 114592015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).