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

C14H15BrN2 — CID 107634111

IUPAC3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
SMILESCc1cncc(CNc2cccc(Br)c2C)c1
InChIInChI=1S/C14H15BrN2/c1-10-6-12(8-16-7-10)9-17-14-5-3-4-13(15)11(14)2/h3-8,17H,9H2,1-2H3
InChIKeyFJIBXPAKIGGZMX-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.07
Rot. Bonds3

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

3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline (PubChem CID 107634111) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
PubChem CID107634111
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
SMILESCc1cncc(CNc2cccc(Br)c2C)c1
InChIInChI=1S/C14H15BrN2/c1-10-6-12(8-16-7-10)9-17-14-5-3-4-13(15)11(14)2/h3-8,17H,9H2,1-2H3
InChIKeyFJIBXPAKIGGZMX-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

3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol
CID 107629630
3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline
CID 107630044
3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107633546
2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102881041
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 107630152
3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methylaniline
CID 103818313
3-[(3-bromo-2-methylanilino)methyl]benzonitrile
CID 103731134
3-bromo-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107630419
3-bromo-N-[(4-cyclopropylphenyl)methyl]-2-methylaniline
CID 107629796
2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
CID 104797103
3-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methylaniline
CID 107629769

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline (CID 107634111) is 3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline is Cc1cncc(CNc2cccc(Br)c2C)c1.
What is the InChIKey of 3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is FJIBXPAKIGGZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-6-12(8-16-7-10)9-17-14-5-3-4-13(15)11(14)2/h3-8,17H,9H2,1-2H3.
What are the key properties of 3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
3-bromo-2-methyl-N-[(5-methyl-3-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 3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 107634111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).