N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine

C14H19NO3 — CID 81480136

IUPACN-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine
SMILESCONC1CCOc2c1ccc1c2OC(C)(C)C1
InChIInChI=1S/C14H19NO3/c1-14(2)8-9-4-5-10-11(15-16-3)6-7-17-13(10)12(9)18-14/h4-5,11,15H,6-8H2,1-3H3
InChIKeyMPMCAUWXKCBGOI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.37
Rot. Bonds2

About N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine

N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine (PubChem CID 81480136) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine.

Molecular Properties

Compound NameN-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine
PubChem CID81480136
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine
SMILESCONC1CCOc2c1ccc1c2OC(C)(C)C1
InChIInChI=1S/C14H19NO3/c1-14(2)8-9-4-5-10-11(15-16-3)6-7-17-13(10)12(9)18-14/h4-5,11,15H,6-8H2,1-3H3
InChIKeyMPMCAUWXKCBGOI-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine?
The IUPAC name of N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine (CID 81480136) is N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine.
What is the SMILES notation for N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine?
The canonical SMILES for N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine is CONC1CCOc2c1ccc1c2OC(C)(C)C1.
What is the InChIKey of N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine?
The InChIKey is MPMCAUWXKCBGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2)8-9-4-5-10-11(15-16-3)6-7-17-13(10)12(9)18-14/h4-5,11,15H,6-8H2,1-3H3.
What are the key properties of N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine?
N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine has a molecular weight of 249.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,2-dimethyl-3,6,7,8-tetrahydrofuro[3,2-h]chromen-6-amine is sourced from PubChem (CID 81480136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).