N-(furan-3-ylmethyl)-3-propoxyaniline

C14H17NO2 — CID 63204676

IUPACN-(furan-3-ylmethyl)-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccoc2)c1
InChIInChI=1S/C14H17NO2/c1-2-7-17-14-5-3-4-13(9-14)15-10-12-6-8-16-11-12/h3-6,8-9,11,15H,2,7,10H2,1H3
InChIKeyPSVWIOFNAGFIJD-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.68
Rot. Bonds6

About N-(furan-3-ylmethyl)-3-propoxyaniline

N-(furan-3-ylmethyl)-3-propoxyaniline (PubChem CID 63204676) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-propoxyaniline.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-propoxyaniline
PubChem CID63204676
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-(furan-3-ylmethyl)-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccoc2)c1
InChIInChI=1S/C14H17NO2/c1-2-7-17-14-5-3-4-13(9-14)15-10-12-6-8-16-11-12/h3-6,8-9,11,15H,2,7,10H2,1H3
InChIKeyPSVWIOFNAGFIJD-UHFFFAOYSA-N
XLogP3.68
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
N-[(4-methylsulfanylphenyl)methyl]-3-propoxyaniline
CID 43435807
N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline
CID 104749489
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline
CID 62345185
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
3-chloro-N-[(3-propoxyphenyl)methyl]aniline
CID 39375106
N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline
CID 43693776

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-propoxyaniline?
The IUPAC name of N-(furan-3-ylmethyl)-3-propoxyaniline (CID 63204676) is N-(furan-3-ylmethyl)-3-propoxyaniline.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-propoxyaniline?
The canonical SMILES for N-(furan-3-ylmethyl)-3-propoxyaniline is CCCOc1cccc(NCc2ccoc2)c1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-propoxyaniline?
The InChIKey is PSVWIOFNAGFIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-7-17-14-5-3-4-13(9-14)15-10-12-6-8-16-11-12/h3-6,8-9,11,15H,2,7,10H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-3-propoxyaniline?
N-(furan-3-ylmethyl)-3-propoxyaniline has a molecular weight of 231.30 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-propoxyaniline is sourced from PubChem (CID 63204676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).