N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline

C14H17NO2 — CID 55088576

IUPACN-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline
SMILESCc1ccc(NCCOCc2ccco2)cc1
InChIInChI=1S/C14H17NO2/c1-12-4-6-13(7-5-12)15-8-10-16-11-14-3-2-9-17-14/h2-7,9,15H,8,10-11H2,1H3
InChIKeyFIFGOUDZXZIDMA-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline

N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline (PubChem CID 55088576) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline
PubChem CID55088576
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline
SMILESCc1ccc(NCCOCc2ccco2)cc1
InChIInChI=1S/C14H17NO2/c1-12-4-6-13(7-5-12)15-8-10-16-11-14-3-2-9-17-14/h2-7,9,15H,8,10-11H2,1H3
InChIKeyFIFGOUDZXZIDMA-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline
CID 55088628
1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
CID 60899568
N-[2-(furan-2-ylmethoxy)ethyl]-2-methoxyethanamine
CID 62565000
N-[2-(furan-2-ylmethoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62565570
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492510
2-(fluoromethoxymethyl)furan
CID 143116843
4-methyl-N-(2-pentoxyethyl)aniline
CID 62584140
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline (CID 55088576) is N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline is Cc1ccc(NCCOCc2ccco2)cc1.
What is the InChIKey of N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline?
The InChIKey is FIFGOUDZXZIDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-12-4-6-13(7-5-12)15-8-10-16-11-14-3-2-9-17-14/h2-7,9,15H,8,10-11H2,1H3.
What are the key properties of N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline?
N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline has a molecular weight of 231.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline is sourced from PubChem (CID 55088576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).