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

C13H16N2O — CID 91672017

IUPAC4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
SMILESCc1cc(NCc2ccco2)c(C)cc1N
InChIInChI=1S/C13H16N2O/c1-9-7-13(10(2)6-12(9)14)15-8-11-4-3-5-16-11/h3-7,15H,8,14H2,1-2H3
InChIKeyXHZLINXUNBTSOK-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.09
Rot. Bonds3

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

4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine (PubChem CID 91672017) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
PubChem CID91672017
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
SMILESCc1cc(NCc2ccco2)c(C)cc1N
InChIInChI=1S/C13H16N2O/c1-9-7-13(10(2)6-12(9)14)15-8-11-4-3-5-16-11/h3-7,15H,8,14H2,1-2H3
InChIKeyXHZLINXUNBTSOK-UHFFFAOYSA-N
XLogP3.09
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.09
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-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
CID 103589771
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
3-(furan-2-ylmethylamino)-4-methylbenzonitrile
CID 62103900
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
6-(furan-2-ylmethylamino)-7-methylchromen-2-one
CID 45104075
2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine
CID 113334246
4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine
CID 116735323
2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine
CID 91671898
1-N-(furan-2-ylmethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382625
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine (CID 91672017) is 4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine is Cc1cc(NCc2ccco2)c(C)cc1N.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine?
The InChIKey is XHZLINXUNBTSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-7-13(10(2)6-12(9)14)15-8-11-4-3-5-16-11/h3-7,15H,8,14H2,1-2H3.
What are the key properties of 4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine?
4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine has a molecular weight of 216.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 91672017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).