2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline

C14H14BrClN2 — CID 102881041

IUPAC2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
SMILESCc1cncc(CNc2cc(Cl)c(C)cc2Br)c1
InChIInChI=1S/C14H14BrClN2/c1-9-3-11(7-17-6-9)8-18-14-5-13(16)10(2)4-12(14)15/h3-7,18H,8H2,1-2H3
InChIKeyGUNBEXTXVHRSJO-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.73
Rot. Bonds3

About 2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline

2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline (PubChem CID 102881041) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
PubChem CID102881041
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
SMILESCc1cncc(CNc2cc(Cl)c(C)cc2Br)c1
InChIInChI=1S/C14H14BrClN2/c1-9-3-11(7-17-6-9)8-18-14-5-13(16)10(2)4-12(14)15/h3-7,18H,8H2,1-2H3
InChIKeyGUNBEXTXVHRSJO-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]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

2-bromo-N-[(1-tert-butylpyrazol-4-yl)methyl]-5-chloro-4-methylaniline
CID 104722746
3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107634111
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-4-methylaniline
CID 104722568
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481
2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline
CID 106438063
2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 104723469
2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
CID 104797103
3-[(2-bromo-5-chloro-4-methylanilino)methyl]-5-fluorobenzonitrile
CID 104723462
2-bromo-5-chloro-N-[(2,3-dimethylphenyl)methyl]-4-methylaniline
CID 104723045
5-[(2-bromo-5-chloro-4-methylanilino)methyl]-2-fluorobenzonitrile
CID 107880431
2-[4-[(2-bromo-5-chloro-4-methylanilino)methyl]phenoxy]acetonitrile
CID 104722812
tert-butyl 2-(2-bromo-5-chloro-4-methylanilino)acetate
CID 113445471

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline (CID 102881041) is 2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline is Cc1cncc(CNc2cc(Cl)c(C)cc2Br)c1.
What is the InChIKey of 2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is GUNBEXTXVHRSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-9-3-11(7-17-6-9)8-18-14-5-13(16)10(2)4-12(14)15/h3-7,18H,8H2,1-2H3.
What are the key properties of 2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline has a molecular weight of 325.64 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 102881041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).