5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine

C12H15Cl2NO — CID 171580460

IUPAC5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)c1c(Cl)cc(Cl)c2c1OCCN2C
InChIInChI=1S/C12H15Cl2NO/c1-7(2)10-8(13)6-9(14)11-12(10)16-5-4-15(11)3/h6-7H,4-5H2,1-3H3
InChIKeyKIQDTAPBUZEWEB-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.95
Rot. Bonds1

About 5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine

5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 171580460) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID171580460
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)c1c(Cl)cc(Cl)c2c1OCCN2C
InChIInChI=1S/C12H15Cl2NO/c1-7(2)10-8(13)6-9(14)11-12(10)16-5-4-15(11)3/h6-7H,4-5H2,1-3H3
InChIKeyKIQDTAPBUZEWEB-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 82230773
5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82231483
4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82230481
4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine
CID 176694445
1-(9-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)ethanone
CID 117479462
8-bromo-6-chloro-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 177336657
1-[(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117452712
1-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
CID 117425412
(7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol
CID 177336822
6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 171788147
2-(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117429999
2-(8-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117428007

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine (CID 171580460) is 5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine is CC(C)c1c(Cl)cc(Cl)c2c1OCCN2C.
What is the InChIKey of 5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is KIQDTAPBUZEWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-7(2)10-8(13)6-9(14)11-12(10)16-5-4-15(11)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine?
5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 260.16 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 171580460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).