3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline

C13H17N3O — CID 105305991

IUPAC3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(NN)c2ccco2)c1
InChIInChI=1S/C13H17N3O/c1-16(2)11-6-3-5-10(9-11)13(15-14)12-7-4-8-17-12/h3-9,13,15H,14H2,1-2H3
InChIKeyFCYUYTKCROSLPV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.90
Rot. Bonds4

About 3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline

3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline (PubChem CID 105305991) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline
PubChem CID105305991
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(NN)c2ccco2)c1
InChIInChI=1S/C13H17N3O/c1-16(2)11-6-3-5-10(9-11)13(15-14)12-7-4-8-17-12/h3-9,13,15H,14H2,1-2H3
InChIKeyFCYUYTKCROSLPV-UHFFFAOYSA-N
XLogP1.90
TPSA54.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[hydrazinyl(phenyl)methyl]-N,N-dimethylaniline
CID 105282900
3-[(4-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105284037
[furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105305957
3-[(3-ethylphenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105326250
[furan-2-yl-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756549
3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105288676
3-[2-(furan-2-yl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105177359
[(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]hydrazine
CID 105263985
[(6-chloro-3-pyridinyl)-(furan-2-yl)methyl]hydrazine
CID 105252925
1-[3-(dimethylamino)phenyl]-2-(furan-2-yl)ethanol
CID 105122910
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
CID 130697779

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline (CID 105305991) is 3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline is CN(C)c1cccc(C(NN)c2ccco2)c1.
What is the InChIKey of 3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline?
The InChIKey is FCYUYTKCROSLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(2)11-6-3-5-10(9-11)13(15-14)12-7-4-8-17-12/h3-9,13,15H,14H2,1-2H3.
What are the key properties of 3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline?
3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline has a molecular weight of 231.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105305991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).