(2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one

C19H21NO2 — CID 14595238

IUPAC(2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one
SMILESCC(C)(C)N[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)20-16-17(21)14-11-7-8-12-15(14)22-18(16)13-9-5-4-6-10-13/h4-12,16,18,20H,1-3H3/t16-,18+/m0/s1
InChIKeyGVHIIIXHSQYITR-FUHWJXTLSA-N
MW295.38 g/mol
LogP3.76
Rot. Bonds2

About (2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one

(2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 14595238) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID14595238
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one
SMILESCC(C)(C)N[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)20-16-17(21)14-11-7-8-12-15(14)22-18(16)13-9-5-4-6-10-13/h4-12,16,18,20H,1-3H3/t16-,18+/m0/s1
InChIKeyGVHIIIXHSQYITR-FUHWJXTLSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride
CID 134106831
(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 12753183
3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14713900
[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium
CID 7212963
(2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one
CID 23941129
(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
CID 25171057
2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one
CID 56607953
3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 174476724
2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one
CID 5271519
2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
CID 10777318
2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile
CID 23465642
3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)butanenitrile
CID 23465620

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one (CID 14595238) is (2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one is CC(C)(C)N[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is GVHIIIXHSQYITR-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2,3)20-16-17(21)14-11-7-8-12-15(14)22-18(16)13-9-5-4-6-10-13/h4-12,16,18,20H,1-3H3/t16-,18+/m0/s1.
What are the key properties of (2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one?
(2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 295.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 14595238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).