1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine

C15H23BrN2 — CID 117021116

IUPAC1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine
SMILESCNC1CCC(C)(C)N(c2ccc(C)c(Br)c2)C1
InChIInChI=1S/C15H23BrN2/c1-11-5-6-13(9-14(11)16)18-10-12(17-4)7-8-15(18,2)3/h5-6,9,12,17H,7-8,10H2,1-4H3
InChIKeyCYLYJZQAZLXLGK-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.72
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine

1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine (PubChem CID 117021116) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine
PubChem CID117021116
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine
SMILESCNC1CCC(C)(C)N(c2ccc(C)c(Br)c2)C1
InChIInChI=1S/C15H23BrN2/c1-11-5-6-13(9-14(11)16)18-10-12(17-4)7-8-15(18,2)3/h5-6,9,12,17H,7-8,10H2,1-4H3
InChIKeyCYLYJZQAZLXLGK-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018261
2-[1-(3-bromo-4-methylphenyl)-6,6-dimethylpiperidin-3-yl]acetonitrile
CID 117021410
1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018211
1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol
CID 117020892
1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine
CID 117021094
1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine
CID 63334285
1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018258
1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020196
1-(3-bromo-4-methylphenyl)-2,2,6,6-tetramethyl-1,4-diazepane
CID 84606565
1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018228
3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80706050
2-bromo-4-cyclopropyl-1-methylbenzene
CID 66521055

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine (CID 117021116) is 1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine is CNC1CCC(C)(C)N(c2ccc(C)c(Br)c2)C1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine?
The InChIKey is CYLYJZQAZLXLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11-5-6-13(9-14(11)16)18-10-12(17-4)7-8-15(18,2)3/h5-6,9,12,17H,7-8,10H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine?
1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine has a molecular weight of 311.27 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine is sourced from PubChem (CID 117021116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).