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

C13H12BrFN2O — CID 55058269

IUPAC1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1Oc1cccc(F)c1
InChIInChI=1S/C13H12BrFN2O/c1-16-7-9-5-10(14)8-17-13(9)18-12-4-2-3-11(15)6-12/h2-6,8,16H,7H2,1H3
InChIKeyKDBYGOCOHWBWDM-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.49
Rot. Bonds4

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

1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 55058269) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID55058269
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1Oc1cccc(F)c1
InChIInChI=1S/C13H12BrFN2O/c1-16-7-9-5-10(14)8-17-13(9)18-12-4-2-3-11(15)6-12/h2-6,8,16H,7H2,1H3
InChIKeyKDBYGOCOHWBWDM-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81325924
1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62297750
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058401
1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 83134824
1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine
CID 114061865
1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322244
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63487635
N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62783784
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298160
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297990
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323752

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 55058269) is 1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1Oc1cccc(F)c1.
What is the InChIKey of 1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is KDBYGOCOHWBWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-16-7-9-5-10(14)8-17-13(9)18-12-4-2-3-11(15)6-12/h2-6,8,16H,7H2,1H3.
What are the key properties of 1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 311.15 g/mol, XLogP of 3.49, 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-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 55058269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).