N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine

C13H13BrClN3 — CID 114835457

IUPACN-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine
SMILESCN(c1ccccc1CN)c1ncc(Cl)cc1Br
InChIInChI=1S/C13H13BrClN3/c1-18(12-5-3-2-4-9(12)7-16)13-11(14)6-10(15)8-17-13/h2-6,8H,7,16H2,1H3
InChIKeyKDHRIILOANPYGQ-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.72
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine

N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine (PubChem CID 114835457) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine
PubChem CID114835457
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC NameN-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine
SMILESCN(c1ccccc1CN)c1ncc(Cl)cc1Br
InChIInChI=1S/C13H13BrClN3/c1-18(12-5-3-2-4-9(12)7-16)13-11(14)6-10(15)8-17-13/h2-6,8H,7,16H2,1H3
InChIKeyKDHRIILOANPYGQ-UHFFFAOYSA-N
XLogP3.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114835568
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 114835412
3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 62286545
N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
CID 114836412
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
4-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]benzenecarbothioamide
CID 114835487
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134
[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
CID 43528666
3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 62286034
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 114838664
5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 79728401

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine (CID 114835457) is N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine is CN(c1ccccc1CN)c1ncc(Cl)cc1Br.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine?
The InChIKey is KDHRIILOANPYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-18(12-5-3-2-4-9(12)7-16)13-11(14)6-10(15)8-17-13/h2-6,8H,7,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine?
N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine has a molecular weight of 326.63 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 114835457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).