4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline

C12H12FNO — CID 2852805

IUPAC4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline
SMILESCc1cc(F)ccc1NCc1ccco1
InChIInChI=1S/C12H12FNO/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-7,14H,8H2,1H3
InChIKeyMAYDRJROPUTKBT-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.34
Rot. Bonds3

About 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline

4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline (PubChem CID 2852805) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline
PubChem CID2852805
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline
SMILESCc1cc(F)ccc1NCc1ccco1
InChIInChI=1S/C12H12FNO/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-7,14H,8H2,1H3
InChIKeyMAYDRJROPUTKBT-UHFFFAOYSA-N
XLogP3.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline?
The IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline (CID 2852805) is 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline.
What is the SMILES notation for 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline?
The canonical SMILES for 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline is Cc1cc(F)ccc1NCc1ccco1.
What is the InChIKey of 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline?
The InChIKey is MAYDRJROPUTKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-7,14H,8H2,1H3.
What are the key properties of 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline?
4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline has a molecular weight of 205.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline is sourced from PubChem (CID 2852805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).