(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine

C14H15F2N3 — CID 105145597

IUPAC(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3/c1-3-13-10(6-8(2)18-19-13)14(17)9-4-5-11(15)12(16)7-9/h4-7,14H,3,17H2,1-2H3
InChIKeyGPSVJLKILNHPBN-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.67
Rot. Bonds3

About (3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine

(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine (PubChem CID 105145597) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
PubChem CID105145597
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3/c1-3-13-10(6-8(2)18-19-13)14(17)9-4-5-11(15)12(16)7-9/h4-7,14H,3,17H2,1-2H3
InChIKeyGPSVJLKILNHPBN-UHFFFAOYSA-N
XLogP2.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 107561977
(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105141233
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
CID 105154023
(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105171352
(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145281
(3-ethyl-6-methylpyridazin-4-yl)-(2-methoxyphenyl)methanamine
CID 105093493
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 43119710
(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105173448
(3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine
CID 102831759
[1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105284782
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine (CID 105145597) is (3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine is CCc1nnc(C)cc1C(N)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The InChIKey is GPSVJLKILNHPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-3-13-10(6-8(2)18-19-13)14(17)9-4-5-11(15)12(16)7-9/h4-7,14H,3,17H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine has a molecular weight of 263.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine is sourced from PubChem (CID 105145597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).