N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline

C16H21NO2 — CID 62346504

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NCc1ccc(CC)o1
InChIInChI=1S/C16H21NO2/c1-3-11-18-16-8-6-5-7-15(16)17-12-14-10-9-13(4-2)19-14/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyJBRFOWPUQLQUHY-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.24
Rot. Bonds7

About N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline

N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline (PubChem CID 62346504) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
PubChem CID62346504
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NCc1ccc(CC)o1
InChIInChI=1S/C16H21NO2/c1-3-11-18-16-8-6-5-7-15(16)17-12-14-10-9-13(4-2)19-14/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyJBRFOWPUQLQUHY-UHFFFAOYSA-N
XLogP4.24
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline
CID 62346709
N-(3,3-dimethylbutyl)-2-propoxyaniline
CID 63427056
N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline
CID 55062030
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
2-[5-[(2-propoxyanilino)methyl]thiophen-2-yl]acetic acid
CID 82886738
5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline
CID 54864869
2-propoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761631
3-[(2-propoxyanilino)methyl]phenol
CID 43682286
4-[(2-propoxyanilino)methyl]benzene-1,3-diol
CID 43682277

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline (CID 62346504) is N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline is CCCOc1ccccc1NCc1ccc(CC)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline?
The InChIKey is JBRFOWPUQLQUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-11-18-16-8-6-5-7-15(16)17-12-14-10-9-13(4-2)19-14/h5-10,17H,3-4,11-12H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline?
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline has a molecular weight of 259.35 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline is sourced from PubChem (CID 62346504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).