3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine

C20H19NO — CID 73001495

IUPAC3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine
SMILESCC1(C)NC(c2ccccc2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C20H19NO/c1-20(2)21-19(15-9-4-3-5-10-15)18-16-11-7-6-8-14(16)12-13-17(18)22-20/h3-13,19,21H,1-2H3
InChIKeyUICWFECGTWAQEM-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.65
Rot. Bonds1

About 3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine

3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine (PubChem CID 73001495) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine
PubChem CID73001495
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine
SMILESCC1(C)NC(c2ccccc2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C20H19NO/c1-20(2)21-19(15-9-4-3-5-10-15)18-16-11-7-6-8-14(16)12-13-17(18)22-20/h3-13,19,21H,1-2H3
InChIKeyUICWFECGTWAQEM-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]
CID 164677123
(1S,3R)-1-(4-nitrophenyl)-3-phenyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazine
CID 11303599
(1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one
CID 6936217
methyl 2-(2,2-dimethyl-1H-benzo[e][1]benzofuran-1-yl)acetate
CID 100993605
(13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
CID 11733511
1-phenyl-2,3-dihydro-1H-benzo[f]chromen-3-ol
CID 14316337
14,14-dimethyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
CID 59790961
3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene
CID 3717788
3,3-dimethylbenzo[f][1,3]benzodioxin-1-one
CID 142590580
(1S,3R)-3-(4-methylphenyl)-1-(4-nitrophenyl)-2,3-dihydro-1H-benzo[f][1,3]benzoxazine
CID 11361455
(1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
CID 98199618
(1R,14S)-15,15-dimethyl-12,16,18-trioxahexacyclo[12.12.0.02,11.03,8.017,26.019,24]hexacosa-2(11),3,5,7,9,17(26),19,21,23-nonaen-25-one
CID 11222838

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine?
The IUPAC name of 3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine (CID 73001495) is 3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine?
The canonical SMILES for 3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine is CC1(C)NC(c2ccccc2)c2c(ccc3ccccc23)O1.
What is the InChIKey of 3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine?
The InChIKey is UICWFECGTWAQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-20(2)21-19(15-9-4-3-5-10-15)18-16-11-7-6-8-14(16)12-13-17(18)22-20/h3-13,19,21H,1-2H3.
What are the key properties of 3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine?
3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine has a molecular weight of 289.38 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine is sourced from PubChem (CID 73001495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).