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

C12H14F3NO3 — CID 82711567

IUPAC6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NOCC(F)(F)F)CCO2
InChIInChI=1S/C12H14F3NO3/c1-17-8-2-3-11-9(6-8)10(4-5-18-11)16-19-7-12(13,14)15/h2-3,6,10,16H,4-5,7H2,1H3
InChIKeyMEHBJCHHNLCKRD-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.60
Rot. Bonds4

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

6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82711567) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82711567
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(NOCC(F)(F)F)CCO2
InChIInChI=1S/C12H14F3NO3/c1-17-8-2-3-11-9(6-8)10(4-5-18-11)16-19-7-12(13,14)15/h2-3,6,10,16H,4-5,7H2,1H3
InChIKeyMEHBJCHHNLCKRD-UHFFFAOYSA-N
XLogP2.60
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.60
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-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
CID 82720276
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
(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
1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 103788069
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
N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine
CID 81481795
6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 107411470
N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-methylpiperidin-4-amine
CID 43775844

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine (CID 82711567) is 6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(NOCC(F)(F)F)CCO2.
What is the InChIKey of 6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MEHBJCHHNLCKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-17-8-2-3-11-9(6-8)10(4-5-18-11)16-19-7-12(13,14)15/h2-3,6,10,16H,4-5,7H2,1H3.
What are the key properties of 6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 277.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82711567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).