N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline

C15H18N2O4 — CID 80732757

IUPACN-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline
SMILESCCCOc1cc(NCCc2ccco2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H18N2O4/c1-2-7-20-15-10-12(9-13(11-15)17(18)19)16-6-5-14-4-3-8-21-14/h3-4,8-11,16H,2,5-7H2,1H3
InChIKeyLBWCTRBZHCSCMB-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.63
Rot. Bonds8

About N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline

N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline (PubChem CID 80732757) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline
PubChem CID80732757
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline
SMILESCCCOc1cc(NCCc2ccco2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H18N2O4/c1-2-7-20-15-10-12(9-13(11-15)17(18)19)16-6-5-14-4-3-8-21-14/h3-4,8-11,16H,2,5-7H2,1H3
InChIKeyLBWCTRBZHCSCMB-UHFFFAOYSA-N
XLogP3.63
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.63
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-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline 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

N-[2-(furan-2-yl)ethyl]-3-methyl-5-nitroaniline
CID 112649053
3-N-[2-(furan-2-yl)ethyl]-5-nitrobenzene-1,3-diamine
CID 80804045
3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propoxyaniline
CID 106403990
N-(2-methoxyethyl)-3-nitro-5-propoxyaniline
CID 80723800
N-(3-methylbutyl)-3-nitro-5-propoxyaniline
CID 80723536
N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine
CID 60631962
2-[3-nitro-5-(propylamino)phenoxy]ethanol
CID 80860789
5-(3-nitro-5-propoxyanilino)pentanoic acid
CID 80743023
N-(furan-2-ylmethyl)-3-nitro-5-propan-2-yloxyaniline
CID 80723525
2-methyl-4-(3-nitro-5-propoxyanilino)butanoic acid
CID 80743193
3-[2-(3-nitro-5-propoxyanilino)ethylsulfanyl]propan-1-ol
CID 106307220
3-but-3-enoxy-5-nitro-N-propylaniline
CID 80860870

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline (CID 80732757) is N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline is CCCOc1cc(NCCc2ccco2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline?
The InChIKey is LBWCTRBZHCSCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-7-20-15-10-12(9-13(11-15)17(18)19)16-6-5-14-4-3-8-21-14/h3-4,8-11,16H,2,5-7H2,1H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline?
N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline has a molecular weight of 290.32 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-nitro-5-propoxyaniline is sourced from PubChem (CID 80732757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).