4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane

C14H25NO — CID 90795245

IUPAC4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
SMILESCC.CC.Cc1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C10H13NO.2C2H6/c1-8-3-4-10-9(7-8)11(2)5-6-12-10;2*1-2/h3-4,7H,5-6H2,1-2H3;2*1-2H3
InChIKeyKVYLPURGDDIXQL-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.88
Rot. Bonds

About 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane

4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane (PubChem CID 90795245) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane.

Molecular Properties

Compound Name4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
PubChem CID90795245
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
SMILESCC.CC.Cc1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C10H13NO.2C2H6/c1-8-3-4-10-9(7-8)11(2)5-6-12-10;2*1-2/h3-4,7H,5-6H2,1-2H3;2*1-2H3
InChIKeyKVYLPURGDDIXQL-UHFFFAOYSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 145415820
4-(3-bromopropyl)-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 118225629
2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82096930
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 12510541
ethane;1,4,6-trimethyl-2,3-dihydroquinoxaline
CID 91027227
2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetonitrile
CID 82096917
N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110639196
3-bromo-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 118225604
N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 82096952
6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639263
2-chloro-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880523

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane?
The IUPAC name of 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane (CID 90795245) is 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane.
What is the SMILES notation for 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane?
The canonical SMILES for 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane is CC.CC.Cc1ccc2c(c1)N(C)CCO2.
What is the InChIKey of 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane?
The InChIKey is KVYLPURGDDIXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.2C2H6/c1-8-3-4-10-9(7-8)11(2)5-6-12-10;2*1-2/h3-4,7H,5-6H2,1-2H3;2*1-2H3.
What are the key properties of 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane?
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane has a molecular weight of 223.36 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane is sourced from PubChem (CID 90795245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).