(4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine

C18H20N2O — CID 164671389

IUPAC(4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine
SMILESCC/N=C1\Nc2c(C)cccc2[C@@](C)(c2ccccc2)O1
InChIInChI=1S/C18H20N2O/c1-4-19-17-20-16-13(2)9-8-12-15(16)18(3,21-17)14-10-6-5-7-11-14/h5-12H,4H2,1-3H3,(H,19,20)/t18-/m1/s1
InChIKeyOYCRKOXHLHOCEU-GOSISDBHSA-N
MW280.37 g/mol
LogP4.08
Rot. Bonds2

About (4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine

(4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine (PubChem CID 164671389) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine.

Molecular Properties

Compound Name(4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine
PubChem CID164671389
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine
SMILESCC/N=C1\Nc2c(C)cccc2[C@@](C)(c2ccccc2)O1
InChIInChI=1S/C18H20N2O/c1-4-19-17-20-16-13(2)9-8-12-15(16)18(3,21-17)14-10-6-5-7-11-14/h5-12H,4H2,1-3H3,(H,19,20)/t18-/m1/s1
InChIKeyOYCRKOXHLHOCEU-GOSISDBHSA-N
XLogP4.08
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imine
CID 149256926
(2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine
CID 139353420
7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one
CID 23189181
4-methyl-9-phenylfluoren-9-ol
CID 22117630
3,7-dimethyl-3-phenyl-2H-1-benzofuran
CID 150065671
4,6-dimethyl-4-phenyl-1,3-benzodioxin-2-one
CID 86245402
4-methyl-9,9-diphenylfluorene
CID 123595050
(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
CID 129405830
9-methyl-9-[2-(2-methylphenyl)phenyl]fluorene;propane
CID 142961405
9-ethyl-4,9-dimethylfluorene
CID 145360802
6-chloro-2,4-dimethyl-4-phenyl-3,1-benzoxazine;hydrochloride
CID 169431883
4-methyl-9-(2-methylphenyl)-9-phenylfluorene
CID 145360950

Frequently Asked Questions

What is the IUPAC name of (4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine?
The IUPAC name of (4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine (CID 164671389) is (4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine.
What is the SMILES notation for (4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine?
The canonical SMILES for (4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine is CC/N=C1\Nc2c(C)cccc2[C@@](C)(c2ccccc2)O1.
What is the InChIKey of (4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine?
The InChIKey is OYCRKOXHLHOCEU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-19-17-20-16-13(2)9-8-12-15(16)18(3,21-17)14-10-6-5-7-11-14/h5-12H,4H2,1-3H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine?
(4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine has a molecular weight of 280.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine is sourced from PubChem (CID 164671389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).