2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine

C17H19NO — CID 117007387

IUPAC2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(CCc2ccccc2)c2ccccc2O1
InChIInChI=1S/C17H19NO/c1-14-13-18(12-11-15-7-3-2-4-8-15)16-9-5-6-10-17(16)19-14/h2-10,14H,11-13H2,1H3
InChIKeyFFWMRGOELYUEDQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.52
Rot. Bonds3

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

2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 117007387) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID117007387
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(CCc2ccccc2)c2ccccc2O1
InChIInChI=1S/C17H19NO/c1-14-13-18(12-11-15-7-3-2-4-8-15)16-9-5-6-10-17(16)19-14/h2-10,14H,11-13H2,1H3
InChIKeyFFWMRGOELYUEDQ-UHFFFAOYSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
3-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoic acid
CID 82025085
5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]furan-2-carboxylic acid
CID 82025087
2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
CID 19748849
4-benzyl-2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 13212017
N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110748689
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 83523743
(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339065
(2R)-2-methyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 95313116
(2R)-2-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 95051819
2-chloro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine (CID 117007387) is 2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine is CC1CN(CCc2ccccc2)c2ccccc2O1.
What is the InChIKey of 2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is FFWMRGOELYUEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-14-13-18(12-11-15-7-3-2-4-8-15)16-9-5-6-10-17(16)19-14/h2-10,14H,11-13H2,1H3.
What are the key properties of 2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine?
2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 253.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117007387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).