2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride

C9H12ClNO — CID 52983691

IUPAC2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
SMILESCC1CNc2ccccc2O1.Cl
InChIInChI=1S/C9H11NO.ClH/c1-7-6-10-8-4-2-3-5-9(8)11-7;/h2-5,7,10H,6H2,1H3;1H
InChIKeyURMVZRDREQXIPA-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.30
Rot. Bonds

About 2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride

2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride (PubChem CID 52983691) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
PubChem CID52983691
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
SMILESCC1CNc2ccccc2O1.Cl
InChIInChI=1S/C9H11NO.ClH/c1-7-6-10-8-4-2-3-5-9(8)11-7;/h2-5,7,10H,6H2,1H3;1H
InChIKeyURMVZRDREQXIPA-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The IUPAC name of 2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride (CID 52983691) is 2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride is CC1CNc2ccccc2O1.Cl.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
The InChIKey is URMVZRDREQXIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c1-7-6-10-8-4-2-3-5-9(8)11-7;/h2-5,7,10H,6H2,1H3;1H.
What are the key properties of 2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride?
2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride is sourced from PubChem (CID 52983691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).