N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine

C16H18BrFN2O — CID 114887267

IUPACN-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OCC)c1)c1c(F)cccc1Br
InChIInChI=1S/C16H18BrFN2O/c1-3-20-16(15-13(17)6-5-7-14(15)18)11-8-12(21-4-2)10-19-9-11/h5-10,16,20H,3-4H2,1-2H3
InChIKeyMRIJBAUZQZYASL-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.08
Rot. Bonds6

About N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine

N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 114887267) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
PubChem CID114887267
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC NameN-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OCC)c1)c1c(F)cccc1Br
InChIInChI=1S/C16H18BrFN2O/c1-3-20-16(15-13(17)6-5-7-14(15)18)11-8-12(21-4-2)10-19-9-11/h5-10,16,20H,3-4H2,1-2H3
InChIKeyMRIJBAUZQZYASL-UHFFFAOYSA-N
XLogP4.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 114885772
N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026527
N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 114887388
N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 114558922
1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026336
[(2,3-difluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329980
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
N-[(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 114887322
N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 114887151
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine
CID 114887250

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine (CID 114887267) is N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(OCC)c1)c1c(F)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is MRIJBAUZQZYASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-3-20-16(15-13(17)6-5-7-14(15)18)11-8-12(21-4-2)10-19-9-11/h5-10,16,20H,3-4H2,1-2H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine?
N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 353.24 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114887267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).