N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine

C15H18BrN3 — CID 106875252

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)Cc2ccccc2CN)c1Br
InChIInChI=1S/C15H18BrN3/c1-11-7-8-18-15(14(11)16)19(2)10-13-6-4-3-5-12(13)9-17/h3-8H,9-10,17H2,1-2H3
InChIKeyGJNDMWFDDRBVIE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.25
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine

N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine (PubChem CID 106875252) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
PubChem CID106875252
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)Cc2ccccc2CN)c1Br
InChIInChI=1S/C15H18BrN3/c1-11-7-8-18-15(14(11)16)19(2)10-13-6-4-3-5-12(13)9-17/h3-8H,9-10,17H2,1-2H3
InChIKeyGJNDMWFDDRBVIE-UHFFFAOYSA-N
XLogP3.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106875251
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylpyrazin-2-amine
CID 83063231
3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 106876592
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 106879126
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876765
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine
CID 106876104
3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
CID 106876742
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridin-2-amine
CID 60921940
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876733
3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106876609
N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine
CID 106876283

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine (CID 106875252) is N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine is Cc1ccnc(N(C)Cc2ccccc2CN)c1Br.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine?
The InChIKey is GJNDMWFDDRBVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11-7-8-18-15(14(11)16)19(2)10-13-6-4-3-5-12(13)9-17/h3-8H,9-10,17H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine?
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.25, 4 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,4-dimethylpyridin-2-amine is sourced from PubChem (CID 106875252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).