6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine

C10H12ClNO — CID 134384301

IUPAC6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine
SMILESCCN1COc2ccc(Cl)cc2C1
InChIInChI=1S/C10H12ClNO/c1-2-12-6-8-5-9(11)3-4-10(8)13-7-12/h3-5H,2,6-7H2,1H3
InChIKeyKNNLEWFRFFEWIT-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.51
Rot. Bonds1

About 6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine

6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 134384301) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine
PubChem CID134384301
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine
SMILESCCN1COc2ccc(Cl)cc2C1
InChIInChI=1S/C10H12ClNO/c1-2-12-6-8-5-9(11)3-4-10(8)13-7-12/h3-5H,2,6-7H2,1H3
InChIKeyKNNLEWFRFFEWIT-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine (CID 134384301) is 6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine is CCN1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is KNNLEWFRFFEWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-12-6-8-5-9(11)3-4-10(8)13-7-12/h3-5H,2,6-7H2,1H3.
What are the key properties of 6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine?
6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 197.67 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 134384301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).