2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline

C18H16N2O4 — CID 956268

IUPAC2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline
SMILESCOc1ccccc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H16N2O4/c1-23-18-5-3-2-4-16(18)19-12-15-10-11-17(24-15)13-6-8-14(9-7-13)20(21)22/h2-11,19H,12H2,1H3
InChIKeyXHAIUUZPGVETDP-UHFFFAOYSA-N
MW324.34 g/mol
LogP4.48
Rot. Bonds6

About 2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline

2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline (PubChem CID 956268) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline
PubChem CID956268
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline
SMILESCOc1ccccc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H16N2O4/c1-23-18-5-3-2-4-16(18)19-12-15-10-11-17(24-15)13-6-8-14(9-7-13)20(21)22/h2-11,19H,12H2,1H3
InChIKeyXHAIUUZPGVETDP-UHFFFAOYSA-N
XLogP4.48
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 54.48
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

2-methoxy-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 12957246
4-methyl-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline
CID 956234
N-[(5-ethylfuran-2-yl)methyl]-2-methoxy-4-nitroaniline
CID 62345097
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 17333023
N-[[5-(4-nitrophenyl)furan-2-yl]methyl]propan-1-amine
CID 4973493
5-[(2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115742740
[2-(2-methoxyphenyl)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7691509
5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide
CID 9452991
N-(furan-2-ylmethyl)-2-methoxy-4-nitroaniline
CID 43720039
N-[[5-(4-nitrophenyl)furan-2-yl]methyl]-1,3-thiazol-2-amine
CID 4976351
methyl 3-methoxy-5-(4-nitrophenyl)furan-2-carboxylate
CID 53253836
2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43761092

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline?
The IUPAC name of 2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline (CID 956268) is 2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline is COc1ccccc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline?
The InChIKey is XHAIUUZPGVETDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-18-5-3-2-4-16(18)19-12-15-10-11-17(24-15)13-6-8-14(9-7-13)20(21)22/h2-11,19H,12H2,1H3.
What are the key properties of 2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline?
2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline has a molecular weight of 324.34 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 956268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).