6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine

C22H21NO — CID 143809181

IUPAC6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1cccc(Cc2ccc3c(c2)CN(c2ccccc2)CO3)c1
InChIInChI=1S/C22H21NO/c1-17-6-5-7-18(12-17)13-19-10-11-22-20(14-19)15-23(16-24-22)21-8-3-2-4-9-21/h2-12,14H,13,15-16H2,1H3
InChIKeyKAKJYYOYBULTRP-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.94
Rot. Bonds3

About 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine

6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 143809181) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
PubChem CID143809181
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1cccc(Cc2ccc3c(c2)CN(c2ccccc2)CO3)c1
InChIInChI=1S/C22H21NO/c1-17-6-5-7-18(12-17)13-19-10-11-22-20(14-19)15-23(16-24-22)21-8-3-2-4-9-21/h2-12,14H,13,15-16H2,1H3
InChIKeyKAKJYYOYBULTRP-UHFFFAOYSA-N
XLogP4.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine
CID 144612402
6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-3-[4-[[4-[8-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine
CID 58526204
3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine
CID 118403247
6-pentadecyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 167110484
2-[4-[6-[[3-[4-(carboxymethyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]phenyl]acetic acid
CID 170039394
3-[4-[[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;ethane
CID 142370791
6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine
CID 132528503
2-[4-[6-[[3-[4-(2-hydroxyprop-2-enyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]phenyl]acetic acid;2-[4-[6-[2-[3-[4-(2-hydroxyprop-2-enyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]phenyl]acetic acid;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine
CID 167698766
3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine
CID 121441320
(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl 3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carboxylate
CID 165154148
6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 132523463
3,3-bis(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2-benzofuran-1-one;3-[4-[[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine
CID 157414438

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine (CID 143809181) is 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine is Cc1cccc(Cc2ccc3c(c2)CN(c2ccccc2)CO3)c1.
What is the InChIKey of 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is KAKJYYOYBULTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-17-6-5-7-18(12-17)13-19-10-11-22-20(14-19)15-23(16-24-22)21-8-3-2-4-9-21/h2-12,14H,13,15-16H2,1H3.
What are the key properties of 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine?
6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 315.42 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 143809181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).