4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline

C15H16BrClN2 — CID 107084678

IUPAC4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
SMILESCCN(Cc1ccccn1)c1ccc(CBr)cc1Cl
InChIInChI=1S/C15H16BrClN2/c1-2-19(11-13-5-3-4-8-18-13)15-7-6-12(10-16)9-14(15)17/h3-9H,2,10-11H2,1H3
InChIKeySGPVGNGHKKRIFV-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.66
Rot. Bonds5

About 4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline

4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline (PubChem CID 107084678) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
PubChem CID107084678
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
SMILESCCN(Cc1ccccn1)c1ccc(CBr)cc1Cl
InChIInChI=1S/C15H16BrClN2/c1-2-19(11-13-5-3-4-8-18-13)15-7-6-12(10-16)9-14(15)17/h3-9H,2,10-11H2,1H3
InChIKeySGPVGNGHKKRIFV-UHFFFAOYSA-N
XLogP4.66
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-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-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 81165802
4-(bromomethyl)-2-chloro-N,N-diethylaniline
CID 107078904
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534
4-(bromomethyl)-2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081319
4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 107080376
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 81147198
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
4-(bromomethyl)-2-chloro-N-(2-ethoxyethyl)-N-ethylaniline
CID 107083639
1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 82966670
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline
CID 82953898
3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 82786091

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline (CID 107084678) is 4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline is CCN(Cc1ccccn1)c1ccc(CBr)cc1Cl.
What is the InChIKey of 4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is SGPVGNGHKKRIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-2-19(11-13-5-3-4-8-18-13)15-7-6-12(10-16)9-14(15)17/h3-9H,2,10-11H2,1H3.
What are the key properties of 4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline?
4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 339.66 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 107084678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).