4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline

C15H19NO2 — CID 113247946

IUPAC4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCCOc1ccc(NCc2occc2C)c(C)c1
InChIInChI=1S/C15H19NO2/c1-4-17-13-5-6-14(12(3)9-13)16-10-15-11(2)7-8-18-15/h5-9,16H,4,10H2,1-3H3
InChIKeyNPZKEKFBDIRLFO-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.91
Rot. Bonds5

About 4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline

4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline (PubChem CID 113247946) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline
PubChem CID113247946
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCCOc1ccc(NCc2occc2C)c(C)c1
InChIInChI=1S/C15H19NO2/c1-4-17-13-5-6-14(12(3)9-13)16-10-15-11(2)7-8-18-15/h5-9,16H,4,10H2,1-3H3
InChIKeyNPZKEKFBDIRLFO-UHFFFAOYSA-N
XLogP3.91
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115777075
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115877164
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115977103
N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine
CID 107445377
4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54865353
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline (CID 113247946) is 4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline is CCOc1ccc(NCc2occc2C)c(C)c1.
What is the InChIKey of 4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline?
The InChIKey is NPZKEKFBDIRLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-17-13-5-6-14(12(3)9-13)16-10-15-11(2)7-8-18-15/h5-9,16H,4,10H2,1-3H3.
What are the key properties of 4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline?
4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline has a molecular weight of 245.32 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 113247946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).