3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine

C15H14ClNO — CID 44541468

IUPAC3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1ccc2c(c1)CN(c1ccccc1Cl)CO2
InChIInChI=1S/C15H14ClNO/c1-11-6-7-15-12(8-11)9-17(10-18-15)14-5-3-2-4-13(14)16/h2-8H,9-10H2,1H3
InChIKeyQNJYXKNIKSGJFT-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.00
Rot. Bonds1

About 3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine

3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 44541468) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine
PubChem CID44541468
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1ccc2c(c1)CN(c1ccccc1Cl)CO2
InChIInChI=1S/C15H14ClNO/c1-11-6-7-15-12(8-11)9-17(10-18-15)14-5-3-2-4-13(14)16/h2-8H,9-10H2,1H3
InChIKeyQNJYXKNIKSGJFT-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-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

3-(4-Methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 4337747
6-tert-butyl-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 938805
6-chloro-3-(4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 707548
3-Phenyl-3,4-dihydro-2H-1,3-benzoxazine
CID 352915
2H-1,3-Benzoxazine, 6-chloro-3,4-dihydro-3-phenyl-
CID 521357
6-Chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
CID 4124439
2-(4-Chlorophenyl)-2,3-dihydro-1h-naphtho[1,2-e][1,3]oxazine
CID 240938
6-fluoro-3-(2-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 712157
6-tert-butyl-3-(3-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 943150
2H-1,3-Benzoxazine, 3,4-dihydro-6-methyl-3-phenyl-
CID 11770132
8-Methyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 21135334
6-Chloro-3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazine
CID 755889

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine (CID 44541468) is 3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine is Cc1ccc2c(c1)CN(c1ccccc1Cl)CO2.
What is the InChIKey of 3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is QNJYXKNIKSGJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11-6-7-15-12(8-11)9-17(10-18-15)14-5-3-2-4-13(14)16/h2-8H,9-10H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine?
3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 259.74 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-methyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 44541468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).