3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine

C14H15Br2N3 — CID 62286034

IUPAC3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccccc1Br)c1ncc(Br)cc1CN
InChIInChI=1S/C14H15Br2N3/c1-19(9-10-4-2-3-5-13(10)16)14-11(7-17)6-12(15)8-18-14/h2-6,8H,7,9,17H2,1H3
InChIKeyZJKGOTPEYDGQNK-UHFFFAOYSA-N
MW385.10 g/mol
LogP3.70
Rot. Bonds4

About 3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine

3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 62286034) has the molecular formula C14H15Br2N3 and a molecular weight of 385.10 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
PubChem CID62286034
Molecular FormulaC14H15Br2N3
Molecular Weight385.10 g/mol
Exact Mass382.96
IUPAC Name3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccccc1Br)c1ncc(Br)cc1CN
InChIInChI=1S/C14H15Br2N3/c1-19(9-10-4-2-3-5-13(10)16)14-11(7-17)6-12(15)8-18-14/h2-6,8H,7,9,17H2,1H3
InChIKeyZJKGOTPEYDGQNK-UHFFFAOYSA-N
XLogP3.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine
CID 62299284
3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 62286545
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
CID 62855860
3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 55054981
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 61416417
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methylpyridin-2-amine
CID 63683256
3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine
CID 64584277
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541717
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62284947

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine (CID 62286034) is 3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine is CN(Cc1ccccc1Br)c1ncc(Br)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is ZJKGOTPEYDGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3/c1-19(9-10-4-2-3-5-13(10)16)14-11(7-17)6-12(15)8-18-14/h2-6,8H,7,9,17H2,1H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine?
3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 385.10 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62286034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).