N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine

C15H16BrFN2O — CID 103395826

IUPACN-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1F)c1ncccc1Br
InChIInChI=1S/C15H16BrFN2O/c1-3-18-14(15-12(16)5-4-8-19-15)11-7-6-10(20-2)9-13(11)17/h4-9,14,18H,3H2,1-2H3
InChIKeyVVRKSQDODWVGNE-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.69
Rot. Bonds5

About N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine

N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 103395826) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID103395826
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC NameN-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1F)c1ncccc1Br
InChIInChI=1S/C15H16BrFN2O/c1-3-18-14(15-12(16)5-4-8-19-15)11-7-6-10(20-2)9-13(11)17/h4-9,14,18H,3H2,1-2H3
InChIKeyVVRKSQDODWVGNE-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 103395517
N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 104738716
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 114906631
N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 103444648
1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103444034
N-[(2-fluoro-4-methoxyphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81480508
N-[(2,4-difluorophenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62801368
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 81304832
N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 114558976
N-[(2,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43561449
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103131244

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 103395826) is N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1F)c1ncccc1Br.
What is the InChIKey of N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is VVRKSQDODWVGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-3-18-14(15-12(16)5-4-8-19-15)11-7-6-10(20-2)9-13(11)17/h4-9,14,18H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 339.21 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 103395826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).