1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone

C17H17NO2 — CID 115577788

IUPAC1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NC2CCOc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-12(19)13-6-8-14(9-7-13)18-16-10-11-20-17-5-3-2-4-15(16)17/h2-9,16,18H,10-11H2,1H3
InChIKeyQQNGKCRWIYHEDF-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.82
Rot. Bonds3

About 1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone

1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone (PubChem CID 115577788) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone
PubChem CID115577788
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NC2CCOc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-12(19)13-6-8-14(9-7-13)18-16-10-11-20-17-5-3-2-4-15(16)17/h2-9,16,18H,10-11H2,1H3
InChIKeyQQNGKCRWIYHEDF-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43194572
1-[4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-nitrophenyl]ethanone
CID 40677129
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
2-amino-5-(3,4-dihydro-2H-chromen-4-ylamino)benzoic acid
CID 62365403
5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide
CID 43705298
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 103932297
2-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenoxy]acetonitrile
CID 43203323
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide
CID 175227622

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone (CID 115577788) is 1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone is CC(=O)c1ccc(NC2CCOc3ccccc32)cc1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone?
The InChIKey is QQNGKCRWIYHEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12(19)13-6-8-14(9-7-13)18-16-10-11-20-17-5-3-2-4-15(16)17/h2-9,16,18H,10-11H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone?
1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenyl]ethanone is sourced from PubChem (CID 115577788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).