4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine

C17H17NO — CID 23248284

IUPAC4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine
SMILESCCC1OC(c2ccc(C)cc2)=Nc2ccccc21
InChIInChI=1S/C17H17NO/c1-3-16-14-6-4-5-7-15(14)18-17(19-16)13-10-8-12(2)9-11-13/h4-11,16H,3H2,1-2H3
InChIKeyHKBOWIWVASWBOQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.55
Rot. Bonds2

About 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine

4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine (PubChem CID 23248284) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine.

Molecular Properties

Compound Name4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine
PubChem CID23248284
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine
SMILESCCC1OC(c2ccc(C)cc2)=Nc2ccccc21
InChIInChI=1S/C17H17NO/c1-3-16-14-6-4-5-7-15(14)18-17(19-16)13-10-8-12(2)9-11-13/h4-11,16H,3H2,1-2H3
InChIKeyHKBOWIWVASWBOQ-UHFFFAOYSA-N
XLogP4.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(chloromethyl)-4-ethyl-4H-3,1-benzoxazine
CID 86202049
6-chloro-2-(2-chlorophenyl)-4-ethyl-4H-3,1-benzoxazine
CID 91740481
4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine
CID 10800880
2-(4-chlorophenyl)-6-methyl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174489602
4-methyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethyl)-3,1-benzoxazine
CID 122377015
7-methyl-2,4-diphenyl-3,1,5-benzoxadiazepine
CID 101460737
(4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
CID 89325688
(1S,1'S)-1,1'-diethyl-4,4'-dimethyl-3,3'-spirobi[1H-2-benzofuran]
CID 157230569
4-hept-1-ynyl-2-(4-methylphenyl)-3-phenyl-4H-quinazoline
CID 72701311
6-methyl-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174526090
1-[(3R)-3-(2-hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 7172762
2-hexoxy-4H-3,1-benzoxazine-4-carbaldehyde
CID 174492924

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
The IUPAC name of 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine (CID 23248284) is 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine.
What is the SMILES notation for 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
The canonical SMILES for 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine is CCC1OC(c2ccc(C)cc2)=Nc2ccccc21.
What is the InChIKey of 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
The InChIKey is HKBOWIWVASWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-16-14-6-4-5-7-15(14)18-17(19-16)13-10-8-12(2)9-11-13/h4-11,16H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine has a molecular weight of 251.33 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine is sourced from PubChem (CID 23248284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).