6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine

C15H21NO2 — CID 103522678

IUPAC6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NCC=C(C)C)CCO2
InChIInChI=1S/C15H21NO2/c1-11(2)6-8-16-14-7-9-18-15-5-4-12(17-3)10-13(14)15/h4-6,10,14,16H,7-9H2,1-3H3
InChIKeyDLAWJZCDDUSMFQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.07
Rot. Bonds4

About 6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine

6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103522678) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID103522678
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NCC=C(C)C)CCO2
InChIInChI=1S/C15H21NO2/c1-11(2)6-8-16-14-7-9-18-15-5-4-12(17-3)10-13(14)15/h4-6,10,14,16H,7-9H2,1-3H3
InChIKeyDLAWJZCDDUSMFQ-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-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

(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
7-methoxy-N-prop-2-enyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 119034586
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 103788069
2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
CID 43771494
6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115720011
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963
6-methoxy-N-(3-methylsulfinylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115721100
6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 107411470
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
CID 104926727

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine (CID 103522678) is 6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(NCC=C(C)C)CCO2.
What is the InChIKey of 6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DLAWJZCDDUSMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)6-8-16-14-7-9-18-15-5-4-12(17-3)10-13(14)15/h4-6,10,14,16H,7-9H2,1-3H3.
What are the key properties of 6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 247.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103522678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).