2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine

C14H15NO — CID 84621824

IUPAC2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine
SMILESCC1(C)COc2ccc3ccccc3c2N1
InChIInChI=1S/C14H15NO/c1-14(2)9-16-12-8-7-10-5-3-4-6-11(10)13(12)15-14/h3-8,15H,9H2,1-2H3
InChIKeyNYLPXQUBKNWKIF-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.42
Rot. Bonds

About 2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine

2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine (PubChem CID 84621824) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine
PubChem CID84621824
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine
SMILESCC1(C)COc2ccc3ccccc3c2N1
InChIInChI=1S/C14H15NO/c1-14(2)9-16-12-8-7-10-5-3-4-6-11(10)13(12)15-14/h3-8,15H,9H2,1-2H3
InChIKeyNYLPXQUBKNWKIF-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1,2-dihydrobenzo[e][1,3]benzoxazole
CID 67826426
3,3-dimethyl-2,4-dihydro-1,4-benzoxazine;ethane
CID 142860963
12H-benzo[a]phenoxazine
CID 13409908
3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine
CID 84636107
12,15,18,21,42,45,48,51-octaoxanonacyclo[50.8.0.02,11.03,8.022,31.025,30.032,41.033,38.055,60]hexaconta-1(52),2(11),3,5,7,9,22(31),23,25,27,29,32(41),33,35,37,39,53,55,57,59-icosaene
CID 101060260
4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
CID 4299365
2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 10848489
3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine
CID 73001495
1-ethenyl-3-methyl-3-phenylbenzo[f]chromene
CID 102490161
3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine
CID 84618421
2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
CID 21275658

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine?
The IUPAC name of 2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine (CID 84621824) is 2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine?
The canonical SMILES for 2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine is CC1(C)COc2ccc3ccccc3c2N1.
What is the InChIKey of 2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine?
The InChIKey is NYLPXQUBKNWKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-14(2)9-16-12-8-7-10-5-3-4-6-11(10)13(12)15-14/h3-8,15H,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine?
2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine has a molecular weight of 213.28 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine is sourced from PubChem (CID 84621824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).