2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline

C15H17BrN2 — CID 114054593

IUPAC2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline
SMILESCc1ccc(N(C)Cc2ccncc2)c(CBr)c1
InChIInChI=1S/C15H17BrN2/c1-12-3-4-15(14(9-12)10-16)18(2)11-13-5-7-17-8-6-13/h3-9H,10-11H2,1-2H3
InChIKeyLOZBNQOVQUPHEO-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.92
Rot. Bonds4

About 2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline

2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 114054593) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID114054593
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline
SMILESCc1ccc(N(C)Cc2ccncc2)c(CBr)c1
InChIInChI=1S/C15H17BrN2/c1-12-3-4-15(14(9-12)10-16)18(2)11-13-5-7-17-8-6-13/h3-9H,10-11H2,1-2H3
InChIKeyLOZBNQOVQUPHEO-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline 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

4-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 107080359
4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 82794707
2-(2-aminoethyl)-4-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860694
1-[3-bromo-4-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 62908856
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 78934605
N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 171702591
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 55190467
N-benzyl-2-(bromomethyl)-N-methylaniline
CID 107079172
5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 107080360
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 107532176
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-pyridin-4-ylpropan-2-amine
CID 102561979
4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848346

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline (CID 114054593) is 2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline is Cc1ccc(N(C)Cc2ccncc2)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is LOZBNQOVQUPHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-12-3-4-15(14(9-12)10-16)18(2)11-13-5-7-17-8-6-13/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline?
2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 305.22 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 114054593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).