2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine

C15H17BrN2O — CID 105065184

IUPAC2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccncc1OC
InChIInChI=1S/C15H17BrN2O/c1-17-14(9-11-5-3-4-6-13(11)16)12-7-8-18-10-15(12)19-2/h3-8,10,14,17H,9H2,1-2H3
InChIKeyYWRAQCOMMBGKTO-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.36
Rot. Bonds5

About 2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine

2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine (PubChem CID 105065184) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
PubChem CID105065184
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccncc1OC
InChIInChI=1S/C15H17BrN2O/c1-17-14(9-11-5-3-4-6-13(11)16)12-7-8-18-10-15(12)19-2/h3-8,10,14,17H,9H2,1-2H3
InChIKeyYWRAQCOMMBGKTO-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065334
2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 115786880
[2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethyl]hydrazine
CID 105327156
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114650079
1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105065859
1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 105065296
2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 62608660
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine
CID 105065658

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine (CID 105065184) is 2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine is CNC(Cc1ccccc1Br)c1ccncc1OC.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine?
The InChIKey is YWRAQCOMMBGKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-17-14(9-11-5-3-4-6-13(11)16)12-7-8-18-10-15(12)19-2/h3-8,10,14,17H,9H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine?
2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105065184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).