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

C19H22ClNO2 — CID 134106831

IUPAC3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride
SMILESCC(C)(C)NC1C(=O)c2ccccc2OC1c1ccccc1.Cl
InChIInChI=1S/C19H21NO2.ClH/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;1H
InChIKeyKPYWOEMPWZNPIQ-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.18
Rot. Bonds2

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

3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride (PubChem CID 134106831) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride.

Molecular Properties

Compound Name3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride
PubChem CID134106831
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride
SMILESCC(C)(C)NC1C(=O)c2ccccc2OC1c1ccccc1.Cl
InChIInChI=1S/C19H21NO2.ClH/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;1H
InChIKeyKPYWOEMPWZNPIQ-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one
CID 14595238
(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
3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)butanenitrile
CID 23465620
2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile
CID 23465642

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride?
The IUPAC name of 3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride (CID 134106831) is 3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride.
What is the SMILES notation for 3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride?
The canonical SMILES for 3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride is CC(C)(C)NC1C(=O)c2ccccc2OC1c1ccccc1.Cl.
What is the InChIKey of 3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride?
The InChIKey is KPYWOEMPWZNPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.ClH/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;1H.
What are the key properties of 3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride?
3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride is sourced from PubChem (CID 134106831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).