N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine

C14H19NO2 — CID 66044717

IUPACN-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESC=C(CC)COc1ccc2c(c1)OCC2NC
InChIInChI=1S/C14H19NO2/c1-4-10(2)8-16-11-5-6-12-13(15-3)9-17-14(12)7-11/h5-7,13,15H,2,4,8-9H2,1,3H3
InChIKeyJQVULDTZZFNKAY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.68
Rot. Bonds5

About N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine

N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 66044717) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID66044717
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESC=C(CC)COc1ccc2c(c1)OCC2NC
InChIInChI=1S/C14H19NO2/c1-4-10(2)8-16-11-5-6-12-13(15-3)9-17-14(12)7-11/h5-7,13,15H,2,4,8-9H2,1,3H3
InChIKeyJQVULDTZZFNKAY-UHFFFAOYSA-N
XLogP2.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine 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

ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate
CID 63094984
N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-pentan-3-ylacetamide
CID 63095853
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol
CID 63096736
N-cyclopentyl-2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
CID 63096038
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol
CID 113398857
6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63094976
6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 114524835
N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine
CID 104805129
N-methyl-6-(2-pyridin-2-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095507
N-methyl-6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096218
2,2-dimethyl-6-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]hexanenitrile
CID 106708821

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 66044717) is N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine is C=C(CC)COc1ccc2c(c1)OCC2NC.
What is the InChIKey of N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is JQVULDTZZFNKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-10(2)8-16-11-5-6-12-13(15-3)9-17-14(12)7-11/h5-7,13,15H,2,4,8-9H2,1,3H3.
What are the key properties of N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine?
N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 233.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 66044717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).