N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline

C13H15NO2 — CID 61059640

IUPACN-(furan-2-ylmethyl)-4-methoxy-3-methylaniline
SMILESCOc1ccc(NCc2ccco2)cc1C
InChIInChI=1S/C13H15NO2/c1-10-8-11(5-6-13(10)15-2)14-9-12-4-3-7-16-12/h3-8,14H,9H2,1-2H3
InChIKeyGBATYYJNTWMMEK-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.21
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline

N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline (PubChem CID 61059640) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methoxy-3-methylaniline
PubChem CID61059640
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(furan-2-ylmethyl)-4-methoxy-3-methylaniline
SMILESCOc1ccc(NCc2ccco2)cc1C
InChIInChI=1S/C13H15NO2/c1-10-8-11(5-6-13(10)15-2)14-9-12-4-3-7-16-12/h3-8,14H,9H2,1-2H3
InChIKeyGBATYYJNTWMMEK-UHFFFAOYSA-N
XLogP3.21
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline 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

N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
CID 61059321
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 113040718
4-N-(3,4-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915400
2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313778
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
N-(furan-2-ylmethyl)-8-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 174269563
5-(furan-2-ylmethylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109187758
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187810
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline?
The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline (CID 61059640) is N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline is COc1ccc(NCc2ccco2)cc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline?
The InChIKey is GBATYYJNTWMMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10-8-11(5-6-13(10)15-2)14-9-12-4-3-7-16-12/h3-8,14H,9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline?
N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline has a molecular weight of 217.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline is sourced from PubChem (CID 61059640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).