N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine

C16H18Br2N2O — CID 105026527

IUPACN-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OCC)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H18Br2N2O/c1-3-20-16(14-8-12(17)5-6-15(14)18)11-7-13(21-4-2)10-19-9-11/h5-10,16,20H,3-4H2,1-2H3
InChIKeyYEOLQYVHMPGYCO-UHFFFAOYSA-N
MW414.14 g/mol
LogP4.70
Rot. Bonds6

About N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine

N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 105026527) has the molecular formula C16H18Br2N2O and a molecular weight of 414.14 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
PubChem CID105026527
Molecular FormulaC16H18Br2N2O
Molecular Weight414.14 g/mol
Exact Mass411.98
IUPAC NameN-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OCC)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H18Br2N2O/c1-3-20-16(14-8-12(17)5-6-15(14)18)11-7-13(21-4-2)10-19-9-11/h5-10,16,20H,3-4H2,1-2H3
InChIKeyYEOLQYVHMPGYCO-UHFFFAOYSA-N
XLogP4.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.14
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330014
N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 114887267
N-[(2-bromo-5-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105173796
1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026336
N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43493541
1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026983
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 43489424
N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105175460
[(2,5-dibromophenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300739
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43489695
N-[(2-bromo-3,4-difluorophenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 107539197

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine (CID 105026527) is N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(OCC)c1)c1cc(Br)ccc1Br.
What is the InChIKey of N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is YEOLQYVHMPGYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2O/c1-3-20-16(14-8-12(17)5-6-15(14)18)11-7-13(21-4-2)10-19-9-11/h5-10,16,20H,3-4H2,1-2H3.
What are the key properties of N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine?
N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 414.14 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105026527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).