N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine

C14H15F2N3O — CID 103374489

IUPACN-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccc(OC)nn1
InChIInChI=1S/C14H15F2N3O/c1-3-17-14(9-4-5-10(15)11(16)8-9)12-6-7-13(20-2)19-18-12/h4-8,14,17H,3H2,1-2H3
InChIKeyFOVATUHHGXFCAQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.46
Rot. Bonds5

About N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine

N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine (PubChem CID 103374489) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
PubChem CID103374489
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccc(OC)nn1
InChIInChI=1S/C14H15F2N3O/c1-3-17-14(9-4-5-10(15)11(16)8-9)12-6-7-13(20-2)19-18-12/h4-8,14,17H,3H2,1-2H3
InChIKeyFOVATUHHGXFCAQ-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine (CID 103374489) is N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1)c1ccc(OC)nn1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The InChIKey is FOVATUHHGXFCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-17-14(9-4-5-10(15)11(16)8-9)12-6-7-13(20-2)19-18-12/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine has a molecular weight of 279.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine is sourced from PubChem (CID 103374489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).