7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine

C10H11ClN2O — CID 21122317

IUPAC7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine
SMILESCN(C)C1=NOCc2cc(Cl)ccc21
InChIInChI=1S/C10H11ClN2O/c1-13(2)10-9-4-3-8(11)5-7(9)6-14-12-10/h3-5H,6H2,1-2H3
InChIKeyMBHZTFPSDFIZFP-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.09
Rot. Bonds

About 7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine

7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine (PubChem CID 21122317) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine.

Molecular Properties

Compound Name7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine
PubChem CID21122317
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine
SMILESCN(C)C1=NOCc2cc(Cl)ccc21
InChIInChI=1S/C10H11ClN2O/c1-13(2)10-9-4-3-8(11)5-7(9)6-14-12-10/h3-5H,6H2,1-2H3
InChIKeyMBHZTFPSDFIZFP-UHFFFAOYSA-N
XLogP2.09
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine?
The IUPAC name of 7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine (CID 21122317) is 7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine.
What is the SMILES notation for 7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine?
The canonical SMILES for 7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine is CN(C)C1=NOCc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine?
The InChIKey is MBHZTFPSDFIZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-13(2)10-9-4-3-8(11)5-7(9)6-14-12-10/h3-5H,6H2,1-2H3.
What are the key properties of 7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine?
7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine has a molecular weight of 210.66 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-dimethyl-1H-2,3-benzoxazin-4-amine is sourced from PubChem (CID 21122317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).