N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine

C13H11Br3N2O — CID 63485474

IUPACN-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine
SMILESCNc1ncccc1COc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H11Br3N2O/c1-17-13-8(3-2-4-18-13)7-19-12-10(15)5-9(14)6-11(12)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyYESDYEMNBMRUKA-UHFFFAOYSA-N
MW450.96 g/mol
LogP4.99
Rot. Bonds4

About N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine

N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine (PubChem CID 63485474) has the molecular formula C13H11Br3N2O and a molecular weight of 450.96 g/mol. Its IUPAC name is N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine
PubChem CID63485474
Molecular FormulaC13H11Br3N2O
Molecular Weight450.96 g/mol
Exact Mass447.84
IUPAC NameN-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine
SMILESCNc1ncccc1COc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H11Br3N2O/c1-17-13-8(3-2-4-18-13)7-19-12-10(15)5-9(14)6-11(12)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyYESDYEMNBMRUKA-UHFFFAOYSA-N
XLogP4.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.96
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-2,5-dichlorophenoxy)methyl]-N-methylpyridin-2-amine
CID 107660638
3-(methoxymethyl)-N-methylpyridin-2-amine
CID 62464572
3-[(2-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464422
3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine
CID 62464965
1-[3,5-dibromo-4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 107741834
3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464069
1-[3,5-dibromo-4-[(2-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741910
3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile
CID 62464085
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
N-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine
CID 62464814
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 55075282
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine (CID 63485474) is N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine is CNc1ncccc1COc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine?
The InChIKey is YESDYEMNBMRUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3N2O/c1-17-13-8(3-2-4-18-13)7-19-12-10(15)5-9(14)6-11(12)16/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine?
N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine has a molecular weight of 450.96 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 63485474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).