1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine

C14H15F2N3 — CID 106895273

IUPAC1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCc1cc(F)c(C(C)NCc2cccnn2)cc1F
InChIInChI=1S/C14H15F2N3/c1-9-6-14(16)12(7-13(9)15)10(2)17-8-11-4-3-5-18-19-11/h3-7,10,17H,8H2,1-2H3
InChIKeyHHKOGSBQJFUPMT-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.91
Rot. Bonds4

About 1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine

1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895273) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895273
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCc1cc(F)c(C(C)NCc2cccnn2)cc1F
InChIInChI=1S/C14H15F2N3/c1-9-6-14(16)12(7-13(9)15)10(2)17-8-11-4-3-5-18-19-11/h3-7,10,17H,8H2,1-2H3
InChIKeyHHKOGSBQJFUPMT-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895275
1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 107094366
1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895134
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895281
4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
CID 106895349
1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895169
N-(pyridazin-3-ylmethyl)heptan-2-amine
CID 106895304
2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide
CID 106333847
2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate
CID 83210980
2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136827793
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895435
1-(2-fluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708851

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895273) is 1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine is Cc1cc(F)c(C(C)NCc2cccnn2)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is HHKOGSBQJFUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-9-6-14(16)12(7-13(9)15)10(2)17-8-11-4-3-5-18-19-11/h3-7,10,17H,8H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 263.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).