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

C12H14N2O — CID 43349415

IUPAC1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NCc2ccco2)c(N)c1
InChIInChI=1S/C12H14N2O/c1-9-4-5-12(11(13)7-9)14-8-10-3-2-6-15-10/h2-7,14H,8,13H2,1H3
InChIKeyZABLASPAWDTNKY-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.78
Rot. Bonds3

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

1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine (PubChem CID 43349415) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
PubChem CID43349415
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NCc2ccco2)c(N)c1
InChIInChI=1S/C12H14N2O/c1-9-4-5-12(11(13)7-9)14-8-10-3-2-6-15-10/h2-7,14H,8,13H2,1H3
InChIKeyZABLASPAWDTNKY-UHFFFAOYSA-N
XLogP2.78
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(furan-2-ylmethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382625
4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
CID 91672017
4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
CID 103589771
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
CID 106414484
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 64682149
4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine
CID 116735323
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
CID 91826509
2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline
CID 62811049
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine (CID 43349415) is 1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine is Cc1ccc(NCc2ccco2)c(N)c1.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine?
The InChIKey is ZABLASPAWDTNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-4-5-12(11(13)7-9)14-8-10-3-2-6-15-10/h2-7,14H,8,13H2,1H3.
What are the key properties of 1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine?
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine has a molecular weight of 202.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 43349415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).