7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one

C14H18FNO2 — CID 163209113

IUPAC7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one
SMILESCCN(CCF)c1ccc2c(c1)OC(=O)CC2C
InChIInChI=1S/C14H18FNO2/c1-3-16(7-6-15)11-4-5-12-10(2)8-14(17)18-13(12)9-11/h4-5,9-10H,3,6-8H2,1-2H3
InChIKeyMRERAWHAIIKJKY-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.89
Rot. Bonds4

About 7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one

7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one (PubChem CID 163209113) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one
PubChem CID163209113
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one
SMILESCCN(CCF)c1ccc2c(c1)OC(=O)CC2C
InChIInChI=1S/C14H18FNO2/c1-3-16(7-6-15)11-4-5-12-10(2)8-14(17)18-13(12)9-11/h4-5,9-10H,3,6-8H2,1-2H3
InChIKeyMRERAWHAIIKJKY-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one
CID 175219385
7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one
CID 163208936
7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one
CID 163209041
7-(4-bromobutoxy)-4-methyl-3,4-dihydrochromen-2-one
CID 155667336
[3,6-bis(diethylamino)-9H-xanthen-9-yl]-(2-methylphenyl)methanone
CID 70402921
7-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-methyl-3,4-dihydrochromen-2-one
CID 59967030
N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide
CID 163208932
3-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]-N-methylpropanamide
CID 163208966
7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one
CID 122394788
4-tert-butyl-N,N-diethyl-2-methyl-4H-chromen-7-amine
CID 87732141
2-[3,6-bis(dimethylamino)-9H-xanthen-9-yl]-5-(diethylamino)phenol
CID 59211315
6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586692

Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one?
The IUPAC name of 7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one (CID 163209113) is 7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one is CCN(CCF)c1ccc2c(c1)OC(=O)CC2C.
What is the InChIKey of 7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one?
The InChIKey is MRERAWHAIIKJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-16(7-6-15)11-4-5-12-10(2)8-14(17)18-13(12)9-11/h4-5,9-10H,3,6-8H2,1-2H3.
What are the key properties of 7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one?
7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one has a molecular weight of 251.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 163209113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).