4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine

C12H13FN2O — CID 103589771

IUPAC4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
SMILESCc1cc(NCc2ccco2)c(N)cc1F
InChIInChI=1S/C12H13FN2O/c1-8-5-12(11(14)6-10(8)13)15-7-9-3-2-4-16-9/h2-6,15H,7,14H2,1H3
InChIKeyGEVJDOKFYPFSSW-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.92
Rot. Bonds3

About 4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine

4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine (PubChem CID 103589771) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
PubChem CID103589771
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
SMILESCc1cc(NCc2ccco2)c(N)cc1F
InChIInChI=1S/C12H13FN2O/c1-8-5-12(11(14)6-10(8)13)15-7-9-3-2-4-16-9/h2-6,15H,7,14H2,1H3
InChIKeyGEVJDOKFYPFSSW-UHFFFAOYSA-N
XLogP2.92
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine
CID 116735323
4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
CID 91672017
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
1-N-[(2-bromophenyl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590055
2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline
CID 62811049
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
4-fluoro-5-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 103590044
1-N-(furan-2-ylmethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382625
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
N-(furan-2-ylmethyl)-2-methylsulfanylaniline
CID 43683353

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine (CID 103589771) is 4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine is Cc1cc(NCc2ccco2)c(N)cc1F.
What is the InChIKey of 4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine?
The InChIKey is GEVJDOKFYPFSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-5-12(11(14)6-10(8)13)15-7-9-3-2-4-16-9/h2-6,15H,7,14H2,1H3.
What are the key properties of 4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine?
4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine has a molecular weight of 220.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 103589771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).