N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline

C15H18N2O4 — CID 133346825

IUPACN-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline
SMILESCOCC(Nc1ccc(C)cc1[N+](=O)[O-])c1ccc(C)o1
InChIInChI=1S/C15H18N2O4/c1-10-4-6-12(14(8-10)17(18)19)16-13(9-20-3)15-7-5-11(2)21-15/h4-8,13,16H,9H2,1-3H3
InChIKeyNZWFMNJAIKSMDD-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.60
Rot. Bonds6

About N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline

N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline (PubChem CID 133346825) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline.

Molecular Properties

Compound NameN-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline
PubChem CID133346825
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline
SMILESCOCC(Nc1ccc(C)cc1[N+](=O)[O-])c1ccc(C)o1
InChIInChI=1S/C15H18N2O4/c1-10-4-6-12(14(8-10)17(18)19)16-13(9-20-3)15-7-5-11(2)21-15/h4-8,13,16H,9H2,1-3H3
InChIKeyNZWFMNJAIKSMDD-UHFFFAOYSA-N
XLogP3.60
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.60
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'}

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Related Compounds

4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline
CID 43718730
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 95787438
4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline
CID 133336556
N-[1-(5-bromofuran-2-yl)ethyl]-4-methyl-2-nitroaniline
CID 104652507
4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-nitroaniline
CID 65048341
[2-methoxy-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105321671
3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]-5-nitrobenzoic acid
CID 119185523
4-methyl-2-nitro-N-pent-4-yn-2-ylaniline
CID 115671795
N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine
CID 133336629
7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483808
N-[1-(furan-2-yl)-2-methoxyethyl]-3-methyl-4-nitroaniline
CID 133429012
N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 55126771

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline?
The IUPAC name of N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline (CID 133346825) is N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline.
What is the SMILES notation for N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline?
The canonical SMILES for N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline is COCC(Nc1ccc(C)cc1[N+](=O)[O-])c1ccc(C)o1.
What is the InChIKey of N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline?
The InChIKey is NZWFMNJAIKSMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-4-6-12(14(8-10)17(18)19)16-13(9-20-3)15-7-5-11(2)21-15/h4-8,13,16H,9H2,1-3H3.
What are the key properties of N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline?
N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline has a molecular weight of 290.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline is sourced from PubChem (CID 133346825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).