2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline

C12H12FNO — CID 115904329

IUPAC2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
SMILESCc1cccc(NCc2ccco2)c1F
InChIInChI=1S/C12H12FNO/c1-9-4-2-6-11(12(9)13)14-8-10-5-3-7-15-10/h2-7,14H,8H2,1H3
InChIKeyIINBKXYYWJMIJG-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.34
Rot. Bonds3

About 2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline

2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline (PubChem CID 115904329) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
PubChem CID115904329
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
SMILESCc1cccc(NCc2ccco2)c1F
InChIInChI=1S/C12H12FNO/c1-9-4-2-6-11(12(9)13)14-8-10-5-3-7-15-10/h2-7,14H,8H2,1H3
InChIKeyIINBKXYYWJMIJG-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

4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
CID 103589771
N-(furan-2-ylmethyl)-2-methylsulfanylaniline
CID 43683353
2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline
CID 62811049
4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
CID 91672017
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
2,3-difluoro-4-(furan-2-ylmethylamino)benzoic acid
CID 79837782
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809780
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
CID 115904322

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline?
The IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline (CID 115904329) is 2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline.
What is the SMILES notation for 2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline?
The canonical SMILES for 2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline is Cc1cccc(NCc2ccco2)c1F.
What is the InChIKey of 2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline?
The InChIKey is IINBKXYYWJMIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-9-4-2-6-11(12(9)13)14-8-10-5-3-7-15-10/h2-7,14H,8H2,1H3.
What are the key properties of 2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline?
2-fluoro-N-(furan-2-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 2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline is sourced from PubChem (CID 115904329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).