1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine

C14H14Br2N2O — CID 83134824

IUPAC1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1Oc1ccc(Br)c(C)c1
InChIInChI=1S/C14H14Br2N2O/c1-9-5-12(3-4-13(9)16)19-14-10(7-17-2)6-11(15)8-18-14/h3-6,8,17H,7H2,1-2H3
InChIKeyULCFQQFLKPBFMH-UHFFFAOYSA-N
MW386.09 g/mol
LogP4.43
Rot. Bonds4

About 1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine

1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 83134824) has the molecular formula C14H14Br2N2O and a molecular weight of 386.09 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID83134824
Molecular FormulaC14H14Br2N2O
Molecular Weight386.09 g/mol
Exact Mass383.95
IUPAC Name1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1Oc1ccc(Br)c(C)c1
InChIInChI=1S/C14H14Br2N2O/c1-9-5-12(3-4-13(9)16)19-14-10(7-17-2)6-11(15)8-18-14/h3-6,8,17H,7H2,1-2H3
InChIKeyULCFQQFLKPBFMH-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 83134584
1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322244
1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058269
1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62297750
1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81325924
N-[[5-bromo-2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 107170579
N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295659
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058401
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 83135139
N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489176
1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine (CID 83134824) is 1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1Oc1ccc(Br)c(C)c1.
What is the InChIKey of 1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is ULCFQQFLKPBFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O/c1-9-5-12(3-4-13(9)16)19-14-10(7-17-2)6-11(15)8-18-14/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 386.09 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 83134824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).