4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline

C14H15BrN2 — CID 79267494

IUPAC4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccc(CNc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H15BrN2/c1-10-8-12(15)6-7-14(10)16-9-13-5-3-4-11(2)17-13/h3-8,16H,9H2,1-2H3
InChIKeyULCHMTBFHIRDKD-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.07
Rot. Bonds3

About 4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline

4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 79267494) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
PubChem CID79267494
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccc(CNc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H15BrN2/c1-10-8-12(15)6-7-14(10)16-9-13-5-3-4-11(2)17-13/h3-8,16H,9H2,1-2H3
InChIKeyULCHMTBFHIRDKD-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267404
4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79266900
2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267407
3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267863
3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine
CID 106949300
1-(4-bromo-2-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962307
6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63961124
4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43758785
N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide
CID 133313355
4-bromo-N-ethyl-2-methylaniline
CID 23053407
2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol
CID 61390276
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80759261

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline (CID 79267494) is 4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline is Cc1cccc(CNc2ccc(Br)cc2C)n1.
What is the InChIKey of 4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is ULCHMTBFHIRDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-8-12(15)6-7-14(10)16-9-13-5-3-4-11(2)17-13/h3-8,16H,9H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 291.19 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 79267494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).