N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline

C17H23NO2 — CID 62347253

IUPACN-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1ccc(CC)o1
InChIInChI=1S/C17H23NO2/c1-4-10-19-17-11-13(3)6-9-16(17)18-12-15-8-7-14(5-2)20-15/h6-9,11,18H,4-5,10,12H2,1-3H3
InChIKeyGOVFJDQOAVUJQW-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.55
Rot. Bonds7

About N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline

N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline (PubChem CID 62347253) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
PubChem CID62347253
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1ccc(CC)o1
InChIInChI=1S/C17H23NO2/c1-4-10-19-17-11-13(3)6-9-16(17)18-12-15-8-7-14(5-2)20-15/h6-9,11,18H,4-5,10,12H2,1-3H3
InChIKeyGOVFJDQOAVUJQW-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 102834473
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
CID 115762790
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
N-[(4-bromo-3-methylphenyl)methyl]-4-methyl-2-propoxyaniline
CID 66472407
N-[(3-bromothiophen-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 115380179
5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79612277
6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol
CID 79157320
N-[(6-bromo-2-pyridinyl)methyl]-4-methyl-2-propoxyaniline
CID 115938149
4-methyl-2-propoxyaniline
CID 24698653

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline (CID 62347253) is N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline is CCCOc1cc(C)ccc1NCc1ccc(CC)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline?
The InChIKey is GOVFJDQOAVUJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-10-19-17-11-13(3)6-9-16(17)18-12-15-8-7-14(5-2)20-15/h6-9,11,18H,4-5,10,12H2,1-3H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline?
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline has a molecular weight of 273.38 g/mol, XLogP of 4.55, 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]-4-methyl-2-propoxyaniline is sourced from PubChem (CID 62347253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).