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

C8H10ClNO — CID 119031183

IUPAC3,4-dihydro-1H-2,3-benzoxazine;hydrochloride
SMILESCl.c1ccc2c(c1)CNOC2
InChIInChI=1S/C8H9NO.ClH/c1-2-4-8-6-10-9-5-7(8)3-1;/h1-4,9H,5-6H2;1H
InChIKeyIOWFVFYUKLHKIG-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.64
Rot. Bonds

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

3,4-dihydro-1H-2,3-benzoxazine;hydrochloride (PubChem CID 119031183) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 3,4-dihydro-1H-2,3-benzoxazine;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-1H-2,3-benzoxazine;hydrochloride
PubChem CID119031183
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name3,4-dihydro-1H-2,3-benzoxazine;hydrochloride
SMILESCl.c1ccc2c(c1)CNOC2
InChIInChI=1S/C8H9NO.ClH/c1-2-4-8-6-10-9-5-7(8)3-1;/h1-4,9H,5-6H2;1H
InChIKeyIOWFVFYUKLHKIG-UHFFFAOYSA-N
XLogP1.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-(Aminomethyl)phenyl)methanol
CID 11275036
1H-2,3-Benzoxazine, 3,4-dihydro-3-methyl-
CID 26875
1-[2-(Methoxymethyl)phenyl]methanamine
CID 12628891
(2-(Aminomethyl)phenyl)methanol hydrochloride
CID 12504716
1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-
CID 30880
1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-
CID 30886
3,4-dihydro-1H-2-benzopyran-4-amine hydrochloride
CID 17750402
3,4-dihydro-1H-2,3-benzoxazine
CID 21887239
N,O-Dibenzylhydroxylamine
CID 11063773
1,2,4,5-Tetrahydro-3,2-benzoxazepine;hydrochloride
CID 21419188
1-(2-methylphenyl)-N-[(2-methylphenyl)methoxy]methanamine
CID 134927350
Hydroxyamino isochroman
CID 135563814

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-2,3-benzoxazine;hydrochloride?
The IUPAC name of 3,4-dihydro-1H-2,3-benzoxazine;hydrochloride (CID 119031183) is 3,4-dihydro-1H-2,3-benzoxazine;hydrochloride.
What is the SMILES notation for 3,4-dihydro-1H-2,3-benzoxazine;hydrochloride?
The canonical SMILES for 3,4-dihydro-1H-2,3-benzoxazine;hydrochloride is Cl.c1ccc2c(c1)CNOC2.
What is the InChIKey of 3,4-dihydro-1H-2,3-benzoxazine;hydrochloride?
The InChIKey is IOWFVFYUKLHKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c1-2-4-8-6-10-9-5-7(8)3-1;/h1-4,9H,5-6H2;1H.
What are the key properties of 3,4-dihydro-1H-2,3-benzoxazine;hydrochloride?
3,4-dihydro-1H-2,3-benzoxazine;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-2,3-benzoxazine;hydrochloride is sourced from PubChem (CID 119031183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).