3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline

C13H13BrN2 — CID 104938204

IUPAC3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCc1cc(Br)cc(NCc2ccncc2)c1
InChIInChI=1S/C13H13BrN2/c1-10-6-12(14)8-13(7-10)16-9-11-2-4-15-5-3-11/h2-8,16H,9H2,1H3
InChIKeySUNQEFJZAGIBLM-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.76
Rot. Bonds3

About 3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline

3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 104938204) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID104938204
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCc1cc(Br)cc(NCc2ccncc2)c1
InChIInChI=1S/C13H13BrN2/c1-10-6-12(14)8-13(7-10)16-9-11-2-4-15-5-3-11/h2-8,16H,9H2,1H3
InChIKeySUNQEFJZAGIBLM-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
4-[(3-bromo-5-methylanilino)methyl]pyridine-2-carbonitrile
CID 104937835
3-bromo-N-[[4-(diethylamino)phenyl]methyl]-5-methylaniline
CID 107582087
4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol
CID 107582089
3-bromo-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 107582113
N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide
CID 107583973
3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
CID 964331
3-bromo-5-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 107582495
N-benzyl-3,5-dibromoaniline
CID 10640949
3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 107582067
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919933
N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191648

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline (CID 104938204) is 3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline is Cc1cc(Br)cc(NCc2ccncc2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is SUNQEFJZAGIBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-10-6-12(14)8-13(7-10)16-9-11-2-4-15-5-3-11/h2-8,16H,9H2,1H3.
What are the key properties of 3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline?
3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 277.17 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 104938204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).