2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine

C18H21NO — CID 82228803

IUPAC2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccccc1CC1CNc2ccc(C)cc2O1
InChIInChI=1S/C18H21NO/c1-3-14-6-4-5-7-15(14)11-16-12-19-17-9-8-13(2)10-18(17)20-16/h4-10,16,19H,3,11-12H2,1-2H3
InChIKeyBMBNCEOZMYVDMX-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.97
Rot. Bonds3

About 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine

2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82228803) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82228803
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccccc1CC1CNc2ccc(C)cc2O1
InChIInChI=1S/C18H21NO/c1-3-14-6-4-5-7-15(14)11-16-12-19-17-9-8-13(2)10-18(17)20-16/h4-10,16,19H,3,11-12H2,1-2H3
InChIKeyBMBNCEOZMYVDMX-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82228820
2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82228863
2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol
CID 89163021
2-[(3,4-dimethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82228808
2-[(2,5-dimethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-ol
CID 82228774
(2S)-2-butyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 92716688
2-[(4-tert-butylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82228819
2-[(3-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-ol
CID 82228787
N-[(2-ethylphenyl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66360586
2-hexyl-3,4-dihydro-2H-1,4-benzoxazine
CID 86212480
1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone
CID 117201827
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-3-ethylpentan-3-amine
CID 65041406

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 82228803) is 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine is CCc1ccccc1CC1CNc2ccc(C)cc2O1.
What is the InChIKey of 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BMBNCEOZMYVDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-14-6-4-5-7-15(14)11-16-12-19-17-9-8-13(2)10-18(17)20-16/h4-10,16,19H,3,11-12H2,1-2H3.
What are the key properties of 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 267.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82228803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).