3-(furan-2-ylmethoxymethyl)-2-methylaniline

C13H15NO2 — CID 43509271

IUPAC3-(furan-2-ylmethoxymethyl)-2-methylaniline
SMILESCc1c(N)cccc1COCc1ccco1
InChIInChI=1S/C13H15NO2/c1-10-11(4-2-6-13(10)14)8-15-9-12-5-3-7-16-12/h2-7H,8-9,14H2,1H3
InChIKeyOUDVPLJWLRPETQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.89
Rot. Bonds4

About 3-(furan-2-ylmethoxymethyl)-2-methylaniline

3-(furan-2-ylmethoxymethyl)-2-methylaniline (PubChem CID 43509271) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(furan-2-ylmethoxymethyl)-2-methylaniline.

Molecular Properties

Compound Name3-(furan-2-ylmethoxymethyl)-2-methylaniline
PubChem CID43509271
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(furan-2-ylmethoxymethyl)-2-methylaniline
SMILESCc1c(N)cccc1COCc1ccco1
InChIInChI=1S/C13H15NO2/c1-10-11(4-2-6-13(10)14)8-15-9-12-5-3-7-16-12/h2-7H,8-9,14H2,1H3
InChIKeyOUDVPLJWLRPETQ-UHFFFAOYSA-N
XLogP2.89
TPSA48.39 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(phenylmethoxymethyl)aniline
CID 43509269
2-[(2-fluorophenyl)methoxymethyl]furan
CID 70570025
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
3-(methoxymethyl)-2-methylaniline
CID 14801184
3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline
CID 70601363
3-bromo-4-(furan-2-ylmethoxymethyl)aniline
CID 60792139
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 107117587
2-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 43509396
2-(fluoromethoxymethyl)furan
CID 143116843
butane;ethane;2-(ethoxymethyl)furan
CID 143895142
3-ethyl-2-methylaniline
CID 19879636

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethoxymethyl)-2-methylaniline?
The IUPAC name of 3-(furan-2-ylmethoxymethyl)-2-methylaniline (CID 43509271) is 3-(furan-2-ylmethoxymethyl)-2-methylaniline.
What is the SMILES notation for 3-(furan-2-ylmethoxymethyl)-2-methylaniline?
The canonical SMILES for 3-(furan-2-ylmethoxymethyl)-2-methylaniline is Cc1c(N)cccc1COCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethoxymethyl)-2-methylaniline?
The InChIKey is OUDVPLJWLRPETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10-11(4-2-6-13(10)14)8-15-9-12-5-3-7-16-12/h2-7H,8-9,14H2,1H3.
What are the key properties of 3-(furan-2-ylmethoxymethyl)-2-methylaniline?
3-(furan-2-ylmethoxymethyl)-2-methylaniline has a molecular weight of 217.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethoxymethyl)-2-methylaniline is sourced from PubChem (CID 43509271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).