6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride

C16H15Cl2NO — CID 169431883

IUPAC6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride
SMILESCC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1.Cl
InChIInChI=1S/C16H14ClNO.ClH/c1-11-18-15-9-8-13(17)10-14(15)16(2,19-11)12-6-4-3-5-7-12;/h3-10H,1-2H3;1H
InChIKeySWTYHOVKVHPFCN-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.11
Rot. Bonds1

About 6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride

6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride (PubChem CID 169431883) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride.

Molecular Properties

Compound Name6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride
PubChem CID169431883
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride
SMILESCC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1.Cl
InChIInChI=1S/C16H14ClNO.ClH/c1-11-18-15-9-8-13(17)10-14(15)16(2,19-11)12-6-4-3-5-7-12;/h3-10H,1-2H3;1H
InChIKeySWTYHOVKVHPFCN-UHFFFAOYSA-N
XLogP5.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine
CID 154097398
6-chloro-N-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imine
CID 149256926
ethyl 6-chloro-2-(diethylamino)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
CID 70575337
3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 54721464
5-chloro-3,3-dimethylindole
CID 22609005
6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 170992748
ethyl 6-chloro-7b-methyl-2-phenyl-1,1a-dihydrocyclopropa[c]quinoline-1-carboxylate
CID 122209874
6-chloro-1,1-dimethyl-3,4-diphenylisochromene
CID 56839038
3-(3-chlorophenyl)-3-methylcyclopropane-1,1,2,2-tetracarbonitrile
CID 8610664
2,7-dichloro-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole
CID 3711438
1-(10-acetyl-3,8-dichloro-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone
CID 4637481
6'-chloro-3',3'-diphenylspiro[1,3-dithiane-2,4'-quinoline]
CID 53355105

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride?
The IUPAC name of 6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride (CID 169431883) is 6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride.
What is the SMILES notation for 6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride?
The canonical SMILES for 6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride is CC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1.Cl.
What is the InChIKey of 6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride?
The InChIKey is SWTYHOVKVHPFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO.ClH/c1-11-18-15-9-8-13(17)10-14(15)16(2,19-11)12-6-4-3-5-7-12;/h3-10H,1-2H3;1H.
What are the key properties of 6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride?
6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride has a molecular weight of 308.21 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride is sourced from PubChem (CID 169431883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).