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

C14H16BrN3 — CID 106876104

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2ccccc2CN)c1Br
InChIInChI=1S/C14H16BrN3/c1-10-6-7-17-14(13(10)15)18-9-12-5-3-2-4-11(12)8-16/h2-7H,8-9,16H2,1H3,(H,17,18)
InChIKeyBZRLFNFLIDGSCH-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.22
Rot. Bonds4

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

N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine (PubChem CID 106876104) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine
PubChem CID106876104
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2ccccc2CN)c1Br
InChIInChI=1S/C14H16BrN3/c1-10-6-7-17-14(13(10)15)18-9-12-5-3-2-4-11(12)8-16/h2-7H,8-9,16H2,1H3,(H,17,18)
InChIKeyBZRLFNFLIDGSCH-UHFFFAOYSA-N
XLogP3.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106896632
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 106875724
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 106875865
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
CID 106875252
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106875522
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106875251
3-[[2-(aminomethyl)phenyl]methylamino]-1-tert-butylpyrazin-2-one
CID 62951201
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 106875542
N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686834
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine (CID 106876104) is N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine is Cc1ccnc(NCc2ccccc2CN)c1Br.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine?
The InChIKey is BZRLFNFLIDGSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-6-7-17-14(13(10)15)18-9-12-5-3-2-4-11(12)8-16/h2-7H,8-9,16H2,1H3,(H,17,18).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine?
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine has a molecular weight of 306.21 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine is sourced from PubChem (CID 106876104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).