6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine

C16H23FN2O2 — CID 82461638

IUPAC6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1ccc2c(c1)C(NCCCN1CCOCC1)CCO2
InChIInChI=1S/C16H23FN2O2/c17-13-2-3-16-14(12-13)15(4-9-21-16)18-5-1-6-19-7-10-20-11-8-19/h2-3,12,15,18H,1,4-11H2
InChIKeyJPOMUBPPRSQJAB-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.96
Rot. Bonds5

About 6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine

6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461638) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461638
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1ccc2c(c1)C(NCCCN1CCOCC1)CCO2
InChIInChI=1S/C16H23FN2O2/c17-13-2-3-16-14(12-13)15(4-9-21-16)18-5-1-6-19-7-10-20-11-8-19/h2-3,12,15,18H,1,4-11H2
InChIKeyJPOMUBPPRSQJAB-UHFFFAOYSA-N
XLogP1.96
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461660
N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461639
8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461715
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
6-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300518
(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 124699924
(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 138032353
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine
CID 99828366
6-bromo-N-(3-pyrazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115708570

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine (CID 82461638) is 6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine is Fc1ccc2c(c1)C(NCCCN1CCOCC1)CCO2.
What is the InChIKey of 6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JPOMUBPPRSQJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-13-2-3-16-14(12-13)15(4-9-21-16)18-5-1-6-19-7-10-20-11-8-19/h2-3,12,15,18H,1,4-11H2.
What are the key properties of 6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 294.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).