6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine

C16H20FN3O — CID 74238174

IUPAC6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine
SMILESCCCCOc1cc(F)ccc1-c1ccc(N(C)C)nn1
InChIInChI=1S/C16H20FN3O/c1-4-5-10-21-15-11-12(17)6-7-13(15)14-8-9-16(19-18-14)20(2)3/h6-9,11H,4-5,10H2,1-3H3
InChIKeyKMTMRSDBXFCGRC-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.53
Rot. Bonds6

About 6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine

6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine (PubChem CID 74238174) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine
PubChem CID74238174
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine
SMILESCCCCOc1cc(F)ccc1-c1ccc(N(C)C)nn1
InChIInChI=1S/C16H20FN3O/c1-4-5-10-21-15-11-12(17)6-7-13(15)14-8-9-16(19-18-14)20(2)3/h6-9,11H,4-5,10H2,1-3H3
InChIKeyKMTMRSDBXFCGRC-UHFFFAOYSA-N
XLogP3.53
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine?
The IUPAC name of 6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine (CID 74238174) is 6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine?
The canonical SMILES for 6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine is CCCCOc1cc(F)ccc1-c1ccc(N(C)C)nn1.
What is the InChIKey of 6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine?
The InChIKey is KMTMRSDBXFCGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-5-10-21-15-11-12(17)6-7-13(15)14-8-9-16(19-18-14)20(2)3/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine?
6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine has a molecular weight of 289.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxy-4-fluorophenyl)-N,N-dimethylpyridazin-3-amine is sourced from PubChem (CID 74238174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).