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

C15H17BrN2O — CID 62297750

IUPAC1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCCc1cccc(Oc2ncc(Br)cc2CNC)c1
InChIInChI=1S/C15H17BrN2O/c1-3-11-5-4-6-14(7-11)19-15-12(9-17-2)8-13(16)10-18-15/h4-8,10,17H,3,9H2,1-2H3
InChIKeyMLOHSILGDYPKOO-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.92
Rot. Bonds5

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

1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 62297750) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID62297750
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCCc1cccc(Oc2ncc(Br)cc2CNC)c1
InChIInChI=1S/C15H17BrN2O/c1-3-11-5-4-6-14(7-11)19-15-12(9-17-2)8-13(16)10-18-15/h4-8,10,17H,3,9H2,1-2H3
InChIKeyMLOHSILGDYPKOO-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058269
1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 83134824
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81325924
1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322244
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297990
1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153
N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296590
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298160
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63487635
5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid
CID 114203037
5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
CID 55060803

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine (CID 62297750) is 1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine is CCc1cccc(Oc2ncc(Br)cc2CNC)c1.
What is the InChIKey of 1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is MLOHSILGDYPKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-3-11-5-4-6-14(7-11)19-15-12(9-17-2)8-13(16)10-18-15/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.92, 5 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-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62297750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).