N-[1-(furan-2-yl)ethyl]-3-methoxyaniline

C13H15NO2 — CID 43196365

IUPACN-[1-(furan-2-yl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NC(C)c2ccco2)c1
InChIInChI=1S/C13H15NO2/c1-10(13-7-4-8-16-13)14-11-5-3-6-12(9-11)15-2/h3-10,14H,1-2H3
InChIKeyQCWCDAPUEWBYTL-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.46
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-3-methoxyaniline

N-[1-(furan-2-yl)ethyl]-3-methoxyaniline (PubChem CID 43196365) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3-methoxyaniline
PubChem CID43196365
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-[1-(furan-2-yl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NC(C)c2ccco2)c1
InChIInChI=1S/C13H15NO2/c1-10(13-7-4-8-16-13)14-11-5-3-6-12(9-11)15-2/h3-10,14H,1-2H3
InChIKeyQCWCDAPUEWBYTL-UHFFFAOYSA-N
XLogP3.46
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline
CID 82858224
3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 43535637
(1S)-N-[1-(furan-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376667
N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline
CID 43191048
4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 82857963
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methoxyacetamide
CID 43713201
3-methoxy-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43106119
3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43101704
3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
CID 43688829
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide
CID 43725755

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3-methoxyaniline?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3-methoxyaniline (CID 43196365) is N-[1-(furan-2-yl)ethyl]-3-methoxyaniline.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3-methoxyaniline?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3-methoxyaniline is COc1cccc(NC(C)c2ccco2)c1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3-methoxyaniline?
The InChIKey is QCWCDAPUEWBYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(13-7-4-8-16-13)14-11-5-3-6-12(9-11)15-2/h3-10,14H,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-3-methoxyaniline?
N-[1-(furan-2-yl)ethyl]-3-methoxyaniline has a molecular weight of 217.27 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 43196365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).