4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine

C10H15NO — CID 142966319

IUPAC4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine
SMILESCC1=CC2=C(CC1)N(C)CCO2
InChIInChI=1S/C10H15NO/c1-8-3-4-9-10(7-8)12-6-5-11(9)2/h7H,3-6H2,1-2H3
InChIKeyVEYBBGNAPWIGGP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.90
Rot. Bonds

About 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine

4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine (PubChem CID 142966319) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine.

Molecular Properties

Compound Name4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine
PubChem CID142966319
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine
SMILESCC1=CC2=C(CC1)N(C)CCO2
InChIInChI=1S/C10H15NO/c1-8-3-4-9-10(7-8)12-6-5-11(9)2/h7H,3-6H2,1-2H3
InChIKeyVEYBBGNAPWIGGP-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-yl-2,3,5,6-tetrahydro-1,4-benzoxazine
CID 60067171
7-Bromo-4-methyl-2,3,5,6-tetrahydro-1,4-benzoxazine
CID 70274930
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
1-[2-(4-Ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
CID 123636866
4-Propyl-2,3,5,6-tetrahydro-1,4-benzoxazine
CID 142262038
ethane;7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine
CID 143176155
7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine
CID 143176156
But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 143349256
3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine
CID 143811751
N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
CID 143935689
9-ethenyl-1-methylidene-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,4]oxazine
CID 144087974
4,6-Dimethyl-2,3,8,8a-tetrahydro-1,4-benzoxazine
CID 144151229

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine?
The IUPAC name of 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine (CID 142966319) is 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine.
What is the SMILES notation for 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine?
The canonical SMILES for 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine is CC1=CC2=C(CC1)N(C)CCO2.
What is the InChIKey of 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine?
The InChIKey is VEYBBGNAPWIGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-3-4-9-10(7-8)12-6-5-11(9)2/h7H,3-6H2,1-2H3.
What are the key properties of 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine?
4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine has a molecular weight of 165.24 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine is sourced from PubChem (CID 142966319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).