N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine

C16H20BrN3 — CID 106875251

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
SMILESCCN(Cc1ccccc1CN)c1nccc(C)c1Br
InChIInChI=1S/C16H20BrN3/c1-3-20(16-15(17)12(2)8-9-19-16)11-14-7-5-4-6-13(14)10-18/h4-9H,3,10-11,18H2,1-2H3
InChIKeyPQFWVJMXHSLLQJ-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.64
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine

N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine (PubChem CID 106875251) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
PubChem CID106875251
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
SMILESCCN(Cc1ccccc1CN)c1nccc(C)c1Br
InChIInChI=1S/C16H20BrN3/c1-3-20(16-15(17)12(2)8-9-19-16)11-14-7-5-4-6-13(14)10-18/h4-9H,3,10-11,18H2,1-2H3
InChIKeyPQFWVJMXHSLLQJ-UHFFFAOYSA-N
XLogP3.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
CID 106875252
3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine
CID 106876283
3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine
CID 106879048
1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 106876362
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine
CID 106876104
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline
CID 62003173
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine
CID 83064268
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylpyrazin-2-amine
CID 83063231
N-[[2-(aminomethyl)phenyl]methyl]-N,4-diethyl-1,3-thiazol-2-amine
CID 62963543
3-bromo-N-(2-chloroethyl)-4-methyl-N-propylpyridin-2-amine
CID 106878874

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine (CID 106875251) is N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine is CCN(Cc1ccccc1CN)c1nccc(C)c1Br.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine?
The InChIKey is PQFWVJMXHSLLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-3-20(16-15(17)12(2)8-9-19-16)11-14-7-5-4-6-13(14)10-18/h4-9H,3,10-11,18H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine?
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine has a molecular weight of 334.26 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine is sourced from PubChem (CID 106875251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).