(2-methylfuran-3-yl)-(4-methylphenyl)methanamine

C13H15NO — CID 43463987

IUPAC(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccoc2C)cc1
InChIInChI=1S/C13H15NO/c1-9-3-5-11(6-4-9)13(14)12-7-8-15-10(12)2/h3-8,13H,14H2,1-2H3
InChIKeyCBKHGUSDFFTOFK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.94
Rot. Bonds2

About (2-methylfuran-3-yl)-(4-methylphenyl)methanamine

(2-methylfuran-3-yl)-(4-methylphenyl)methanamine (PubChem CID 43463987) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
PubChem CID43463987
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccoc2C)cc1
InChIInChI=1S/C13H15NO/c1-9-3-5-11(6-4-9)13(14)12-7-8-15-10(12)2/h3-8,13H,14H2,1-2H3
InChIKeyCBKHGUSDFFTOFK-UHFFFAOYSA-N
XLogP2.94
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-methylfuran-3-yl)-(4-methylphenyl)methanamine 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

(2-methylfuran-3-yl)-(4-phenylphenyl)methanamine
CID 43464106
(4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine
CID 43464305
(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
CID 79747168
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine
CID 43384340
2,3-dihydro-1H-inden-5-yl-(2-methylfuran-3-yl)methanamine
CID 43464481
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine
CID 107289329
9H-carbazol-3-yl-(2-methylfuran-3-yl)methanamine
CID 43464160
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
CID 106881970
(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 104789813
(2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine
CID 43464792
(2-methylfuran-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 104789761
(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine
CID 114604613

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(4-methylphenyl)methanamine?
The IUPAC name of (2-methylfuran-3-yl)-(4-methylphenyl)methanamine (CID 43463987) is (2-methylfuran-3-yl)-(4-methylphenyl)methanamine.
What is the SMILES notation for (2-methylfuran-3-yl)-(4-methylphenyl)methanamine?
The canonical SMILES for (2-methylfuran-3-yl)-(4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccoc2C)cc1.
What is the InChIKey of (2-methylfuran-3-yl)-(4-methylphenyl)methanamine?
The InChIKey is CBKHGUSDFFTOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-3-5-11(6-4-9)13(14)12-7-8-15-10(12)2/h3-8,13H,14H2,1-2H3.
What are the key properties of (2-methylfuran-3-yl)-(4-methylphenyl)methanamine?
(2-methylfuran-3-yl)-(4-methylphenyl)methanamine has a molecular weight of 201.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(4-methylphenyl)methanamine is sourced from PubChem (CID 43463987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).