6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine

C10H13ClN2O — CID 82230638

IUPAC6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
SMILESCc1c(N)c2c(c(C)c1Cl)NCCO2
InChIInChI=1S/C10H13ClN2O/c1-5-7(11)6(2)9-10(8(5)12)14-4-3-13-9/h13H,3-4,12H2,1-2H3
InChIKeySJAYMUUFQLZDIN-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.34
Rot. Bonds

About 6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine

6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine (PubChem CID 82230638) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine.

Molecular Properties

Compound Name6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
PubChem CID82230638
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
SMILESCc1c(N)c2c(c(C)c1Cl)NCCO2
InChIInChI=1S/C10H13ClN2O/c1-5-7(11)6(2)9-10(8(5)12)14-4-3-13-9/h13H,3-4,12H2,1-2H3
InChIKeySJAYMUUFQLZDIN-UHFFFAOYSA-N
XLogP2.34
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The IUPAC name of 6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine (CID 82230638) is 6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine.
What is the SMILES notation for 6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The canonical SMILES for 6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine is Cc1c(N)c2c(c(C)c1Cl)NCCO2.
What is the InChIKey of 6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The InChIKey is SJAYMUUFQLZDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-5-7(11)6(2)9-10(8(5)12)14-4-3-13-9/h13H,3-4,12H2,1-2H3.
What are the key properties of 6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine has a molecular weight of 212.68 g/mol, XLogP of 2.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine is sourced from PubChem (CID 82230638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).