N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline

C15H19N3O3 — CID 107351108

IUPACN-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline
SMILESCCNc1c(CN(C)Cc2ccoc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-3-16-15-13(5-4-6-14(15)18(19)20)10-17(2)9-12-7-8-21-11-12/h4-8,11,16H,3,9-10H2,1-2H3
InChIKeyYVXAYGMLVOYFSB-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.25
Rot. Bonds7

About N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline

N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline (PubChem CID 107351108) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline.

Molecular Properties

Compound NameN-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline
PubChem CID107351108
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline
SMILESCCNc1c(CN(C)Cc2ccoc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-3-16-15-13(5-4-6-14(15)18(19)20)10-17(2)9-12-7-8-21-11-12/h4-8,11,16H,3,9-10H2,1-2H3
InChIKeyYVXAYGMLVOYFSB-UHFFFAOYSA-N
XLogP3.25
TPSA71.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-ethyl-6-nitroaniline
CID 107351125
N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline
CID 107351162
N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-6-nitroaniline
CID 107350917
2-[[2-(ethylamino)-3-nitrophenyl]methyl-methylamino]acetamide
CID 107350837
4-[[2-(ethylamino)-3-nitrophenyl]methyl-methylamino]butan-2-ol
CID 107351567
N-ethyl-2-[(N-methylanilino)methyl]-6-nitroaniline
CID 107350686
N-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]-6-nitroaniline
CID 107350896
2-[cyanomethyl-[[2-(ethylamino)-3-nitrophenyl]methyl]amino]acetonitrile
CID 107350737
N,N,N'-trimethyl-N'-[[3-nitro-2-(propylamino)phenyl]methyl]ethane-1,2-diamine
CID 107351328
3-[[2-(ethylamino)-3-nitrophenyl]methyl-propan-2-ylamino]propan-1-ol
CID 107351214
N-ethyl-2-[[methyl(4-methylsulfanylbutan-2-yl)amino]methyl]-6-nitroaniline
CID 107351594
N-methyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-nitroaniline
CID 107351141

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline?
The IUPAC name of N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline (CID 107351108) is N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline.
What is the SMILES notation for N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline?
The canonical SMILES for N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline is CCNc1c(CN(C)Cc2ccoc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline?
The InChIKey is YVXAYGMLVOYFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-16-15-13(5-4-6-14(15)18(19)20)10-17(2)9-12-7-8-21-11-12/h4-8,11,16H,3,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline?
N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline has a molecular weight of 289.33 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline is sourced from PubChem (CID 107351108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).