(2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone

C17H17NO2 — CID 104952320

IUPAC(2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone
SMILESN[C@@H](C(=O)c1cccc2c1OCCC2)c1ccccc1
InChIInChI=1S/C17H17NO2/c18-15(12-6-2-1-3-7-12)16(19)14-10-4-8-13-9-5-11-20-17(13)14/h1-4,6-8,10,15H,5,9,11,18H2/t15-/m1/s1
InChIKeyGUMRIXJYSLDGRW-OAHLLOKOSA-N
MW267.33 g/mol
LogP2.89
Rot. Bonds3

About (2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone

(2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone (PubChem CID 104952320) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone
PubChem CID104952320
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone
SMILESN[C@@H](C(=O)c1cccc2c1OCCC2)c1ccccc1
InChIInChI=1S/C17H17NO2/c18-15(12-6-2-1-3-7-12)16(19)14-10-4-8-13-9-5-11-20-17(13)14/h1-4,6-8,10,15H,5,9,11,18H2/t15-/m1/s1
InChIKeyGUMRIXJYSLDGRW-OAHLLOKOSA-N
XLogP2.89
TPSA52.32 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one
CID 114748122
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-one
CID 114747981
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
(4-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744120
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118
(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114747933
(2,3-dimethylphenyl) 3,4-dihydro-2H-chromene-8-carboxylate
CID 90702870
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone (CID 104952320) is (2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone is N[C@@H](C(=O)c1cccc2c1OCCC2)c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone?
The InChIKey is GUMRIXJYSLDGRW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17NO2/c18-15(12-6-2-1-3-7-12)16(19)14-10-4-8-13-9-5-11-20-17(13)14/h1-4,6-8,10,15H,5,9,11,18H2/t15-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone?
(2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone has a molecular weight of 267.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone is sourced from PubChem (CID 104952320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).