N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine

C13H13BrN2 — CID 53414444

IUPACN-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2cccc(Br)c2)c1
InChIInChI=1S/C13H13BrN2/c1-10-5-6-15-13(7-10)16-9-11-3-2-4-12(14)8-11/h2-8H,9H2,1H3,(H,15,16)
InChIKeyIXCYTINQJPTKIG-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.76
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine

N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine (PubChem CID 53414444) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
PubChem CID53414444
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC NameN-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2cccc(Br)c2)c1
InChIInChI=1S/C13H13BrN2/c1-10-5-6-15-13(7-10)16-9-11-3-2-4-12(14)8-11/h2-8H,9H2,1H3,(H,15,16)
InChIKeyIXCYTINQJPTKIG-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-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
CID 82674382
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327634
2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline
CID 82762195
N-[(3-bromophenyl)methyl]pyrimidin-4-amine
CID 61401223
N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 107233111
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80899114
2-[[6-[(3-bromophenyl)methylamino]pyrimidin-4-yl]amino]acetonitrile
CID 115264865
N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312159
4-dimethylphosphoryl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 166321015
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine (CID 53414444) is N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine is Cc1ccnc(NCc2cccc(Br)c2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine?
The InChIKey is IXCYTINQJPTKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-10-5-6-15-13(7-10)16-9-11-3-2-4-12(14)8-11/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine?
N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine 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 N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 53414444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).