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

C13H13BrN2 — CID 39375964

IUPAC3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCc1ccc(NCc2cccnc2)cc1Br
InChIInChI=1S/C13H13BrN2/c1-10-4-5-12(7-13(10)14)16-9-11-3-2-6-15-8-11/h2-8,16H,9H2,1H3
InChIKeyURTQTUXVTZRVLO-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.76
Rot. Bonds3

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

3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 39375964) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID39375964
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCc1ccc(NCc2cccnc2)cc1Br
InChIInChI=1S/C13H13BrN2/c1-10-4-5-12(7-13(10)14)16-9-11-3-2-6-15-8-11/h2-8,16H,9H2,1H3
InChIKeyURTQTUXVTZRVLO-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-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377275
4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 54943459
N-(3-bromo-4-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283435
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
3-bromo-N-(pyridin-3-ylmethyl)-4-(trifluoromethoxy)aniline
CID 107335847
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 39395065
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213171
3-bromo-4-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 114262038
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983013
N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213210

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline (CID 39375964) is 3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline is Cc1ccc(NCc2cccnc2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is URTQTUXVTZRVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-10-4-5-12(7-13(10)14)16-9-11-3-2-6-15-8-11/h2-8,16H,9H2,1H3.
What are the key properties of 3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline?
3-bromo-4-methyl-N-(pyridin-3-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-4-methyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 39375964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).