2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

C10H13NO — CID 52983692

IUPAC2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C10H13NO/c1-7-3-4-10-9(5-7)11-6-8(2)12-10/h3-5,8,11H,6H2,1-2H3
InChIKeyDDPNTMHBTQBGAG-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.19
Rot. Bonds

About 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 52983692) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID52983692
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C10H13NO/c1-7-3-4-10-9(5-7)11-6-8(2)12-10/h3-5,8,11H,6H2,1-2H3
InChIKeyDDPNTMHBTQBGAG-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
1-(2-Ethoxyphenyl)piperazine
CID 83357
Acetamide, N-(2-methoxy-5-methylphenyl)-
CID 81412
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
1-(2-Butoxyphenyl)piperazine
CID 14479837
2-Methyl-10,11-dihydro-dibenzo[b,f][1,4]oxazepine
CID 649766
Dabelotine
CID 177949
(3,4-Dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 21824043
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839
1-(2-(2-Fluorobenzyloxy)phenyl)piperazine
CID 45483446

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 52983692) is 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1ccc2c(c1)NCC(C)O2.
What is the InChIKey of 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is DDPNTMHBTQBGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-3-4-10-9(5-7)11-6-8(2)12-10/h3-5,8,11H,6H2,1-2H3.
What are the key properties of 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 163.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 52983692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).