4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline

C12H12FNO — CID 63204789

IUPAC4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline
SMILESCc1cc(NCc2ccoc2)ccc1F
InChIInChI=1S/C12H12FNO/c1-9-6-11(2-3-12(9)13)14-7-10-4-5-15-8-10/h2-6,8,14H,7H2,1H3
InChIKeyVLBVXUQBYCDASK-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.34
Rot. Bonds3

About 4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline

4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline (PubChem CID 63204789) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline
PubChem CID63204789
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline
SMILESCc1cc(NCc2ccoc2)ccc1F
InChIInChI=1S/C12H12FNO/c1-9-6-11(2-3-12(9)13)14-7-10-4-5-15-8-10/h2-6,8,14H,7H2,1H3
InChIKeyVLBVXUQBYCDASK-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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Related Compounds

N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
4-bromo-3-fluoro-N-(furan-3-ylmethyl)aniline
CID 65435326
4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
2-fluoro-5-(furan-3-ylmethylamino)benzoic acid
CID 63204868
N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204406
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
4-fluoro-N-(furan-3-ylmethyl)-3-nitroaniline
CID 55163988
3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline
CID 115744212
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
CID 55161647
N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55118977
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-3-methylaniline
CID 62810399
2,2-difluoro-N-(furan-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 63204036

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline?
The IUPAC name of 4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline (CID 63204789) is 4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline.
What is the SMILES notation for 4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline?
The canonical SMILES for 4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline is Cc1cc(NCc2ccoc2)ccc1F.
What is the InChIKey of 4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline?
The InChIKey is VLBVXUQBYCDASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-9-6-11(2-3-12(9)13)14-7-10-4-5-15-8-10/h2-6,8,14H,7H2,1H3.
What are the key properties of 4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline?
4-fluoro-N-(furan-3-ylmethyl)-3-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-3-ylmethyl)-3-methylaniline is sourced from PubChem (CID 63204789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).