2-[3-(furan-2-ylmethoxy)propoxy]aniline

C14H17NO3 — CID 43174360

IUPAC2-[3-(furan-2-ylmethoxy)propoxy]aniline
SMILESNc1ccccc1OCCCOCc1ccco1
InChIInChI=1S/C14H17NO3/c15-13-6-1-2-7-14(13)18-10-4-8-16-11-12-5-3-9-17-12/h1-3,5-7,9H,4,8,10-11,15H2
InChIKeyKCVGODMGZKOSOG-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.85
Rot. Bonds7

About 2-[3-(furan-2-ylmethoxy)propoxy]aniline

2-[3-(furan-2-ylmethoxy)propoxy]aniline (PubChem CID 43174360) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethoxy)propoxy]aniline.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethoxy)propoxy]aniline
PubChem CID43174360
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[3-(furan-2-ylmethoxy)propoxy]aniline
SMILESNc1ccccc1OCCCOCc1ccco1
InChIInChI=1S/C14H17NO3/c15-13-6-1-2-7-14(13)18-10-4-8-16-11-12-5-3-9-17-12/h1-3,5-7,9H,4,8,10-11,15H2
InChIKeyKCVGODMGZKOSOG-UHFFFAOYSA-N
XLogP2.85
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
2-(6-bromohexoxymethyl)furan
CID 86031197
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
2-[2-(2-chloroethoxy)ethoxymethyl]furan
CID 63664804
4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline
CID 22741608
5-(furan-2-ylmethoxy)-2,2-dimethylpentanethioamide
CID 65259909
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
2-(fluoromethoxymethyl)furan
CID 143116843
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethoxy)propoxy]aniline?
The IUPAC name of 2-[3-(furan-2-ylmethoxy)propoxy]aniline (CID 43174360) is 2-[3-(furan-2-ylmethoxy)propoxy]aniline.
What is the SMILES notation for 2-[3-(furan-2-ylmethoxy)propoxy]aniline?
The canonical SMILES for 2-[3-(furan-2-ylmethoxy)propoxy]aniline is Nc1ccccc1OCCCOCc1ccco1.
What is the InChIKey of 2-[3-(furan-2-ylmethoxy)propoxy]aniline?
The InChIKey is KCVGODMGZKOSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c15-13-6-1-2-7-14(13)18-10-4-8-16-11-12-5-3-9-17-12/h1-3,5-7,9H,4,8,10-11,15H2.
What are the key properties of 2-[3-(furan-2-ylmethoxy)propoxy]aniline?
2-[3-(furan-2-ylmethoxy)propoxy]aniline has a molecular weight of 247.29 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethoxy)propoxy]aniline is sourced from PubChem (CID 43174360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).