3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

C16H17NO — CID 102567383

IUPAC3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccc(C2COc3ccccc3N2)cc1
InChIInChI=1S/C16H17NO/c1-2-12-7-9-13(10-8-12)15-11-18-16-6-4-3-5-14(16)17-15/h3-10,15,17H,2,11H2,1H3
InChIKeyMWFFCCAOBTYEHQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.79
Rot. Bonds2

About 3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 102567383) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID102567383
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccc(C2COc3ccccc3N2)cc1
InChIInChI=1S/C16H17NO/c1-2-12-7-9-13(10-8-12)15-11-18-16-6-4-3-5-14(16)17-15/h3-10,15,17H,2,11H2,1H3
InChIKeyMWFFCCAOBTYEHQ-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837282
2-(4-ethylphenyl)-2,3-dihydro-1H-indole
CID 3934310
3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837257
3-(1H-pyrrol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837233
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837271
3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837206
3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837220
5-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)-3H-1,3-benzoxazol-2-one
CID 116837252
(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine
CID 11195468
2-(4-methylphenyl)-2,3-dihydro-1H-4,1-benzoxazepin-5-one
CID 102291977
3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837207

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 102567383) is 3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is CCc1ccc(C2COc3ccccc3N2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is MWFFCCAOBTYEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-12-7-9-13(10-8-12)15-11-18-16-6-4-3-5-14(16)17-15/h3-10,15,17H,2,11H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 239.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 102567383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).