2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline

C15H16BrClN2 — CID 107080718

IUPAC2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCN(CCc1ccncc1)c1cc(Cl)ccc1CBr
InChIInChI=1S/C15H16BrClN2/c1-19(9-6-12-4-7-18-8-5-12)15-10-14(17)3-2-13(15)11-16/h2-5,7-8,10H,6,9,11H2,1H3
InChIKeyIUGFOFORJLTXGO-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.31
Rot. Bonds5

About 2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline

2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 107080718) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID107080718
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCN(CCc1ccncc1)c1cc(Cl)ccc1CBr
InChIInChI=1S/C15H16BrClN2/c1-19(9-6-12-4-7-18-8-5-12)15-10-14(17)3-2-13(15)11-16/h2-5,7-8,10H,6,9,11H2,1H3
InChIKeyIUGFOFORJLTXGO-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde
CID 114844001
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 63083019
2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860692
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 62492674
4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
CID 142817862
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 81151057
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690
4-(chloromethyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 54944105
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350
2-(bromomethyl)-4-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 107081165
5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
CID 80503008

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 107080718) is 2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline is CN(CCc1ccncc1)c1cc(Cl)ccc1CBr.
What is the InChIKey of 2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is IUGFOFORJLTXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-19(9-6-12-4-7-18-8-5-12)15-10-14(17)3-2-13(15)11-16/h2-5,7-8,10H,6,9,11H2,1H3.
What are the key properties of 2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 339.66 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 107080718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).