6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine

C14H21NO3 — CID 82720276

IUPAC6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NOC(C)(C)C)CCO2
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-15-12-7-8-17-13-6-5-10(16-4)9-11(12)13/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyQWYLBJBSKVDKOH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.84
Rot. Bonds3

About 6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine

6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82720276) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
PubChem CID82720276
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NOC(C)(C)C)CCO2
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-15-12-7-8-17-13-6-5-10(16-4)9-11(12)13/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyQWYLBJBSKVDKOH-UHFFFAOYSA-N
XLogP2.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine
CID 82711567
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-methylpiperidin-4-amine
CID 43775844
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529
N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43763115
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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine (CID 82720276) is 6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(NOC(C)(C)C)CCO2.
What is the InChIKey of 6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QWYLBJBSKVDKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-15-12-7-8-17-13-6-5-10(16-4)9-11(12)13/h5-6,9,12,15H,7-8H2,1-4H3.
What are the key properties of 6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82720276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).