4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline

C17H23NO2 — CID 60935377

IUPAC4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline
SMILESCCOc1ccc(NC(C)CCc2ccco2)c(C)c1
InChIInChI=1S/C17H23NO2/c1-4-19-16-9-10-17(13(2)12-16)18-14(3)7-8-15-6-5-11-20-15/h5-6,9-12,14,18H,4,7-8H2,1-3H3
InChIKeyCTSRVPACYUWDGJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.42
Rot. Bonds7

About 4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline

4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline (PubChem CID 60935377) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline.

Molecular Properties

Compound Name4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline
PubChem CID60935377
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline
SMILESCCOc1ccc(NC(C)CCc2ccco2)c(C)c1
InChIInChI=1S/C17H23NO2/c1-4-19-16-9-10-17(13(2)12-16)18-14(3)7-8-15-6-5-11-20-15/h5-6,9-12,14,18H,4,7-8H2,1-3H3
InChIKeyCTSRVPACYUWDGJ-UHFFFAOYSA-N
XLogP4.42
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.42
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

N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline
CID 115916635
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 60980334
2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
CID 83004449
2-[4-(furan-2-yl)butan-2-ylamino]-5-methylbenzoic acid
CID 62516226
4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107787692
2-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyridine-2,5-diamine
CID 79173050
2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine
CID 55080552
N-(2,6-dimethylheptan-4-yl)-4-ethoxy-2-methylaniline
CID 63450960
N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide
CID 43739655
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline?
The IUPAC name of 4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline (CID 60935377) is 4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline.
What is the SMILES notation for 4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline?
The canonical SMILES for 4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline is CCOc1ccc(NC(C)CCc2ccco2)c(C)c1.
What is the InChIKey of 4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline?
The InChIKey is CTSRVPACYUWDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-19-16-9-10-17(13(2)12-16)18-14(3)7-8-15-6-5-11-20-15/h5-6,9-12,14,18H,4,7-8H2,1-3H3.
What are the key properties of 4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline?
4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline has a molecular weight of 273.38 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline is sourced from PubChem (CID 60935377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).