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

C17H19NO — CID 82228863

IUPAC2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccccc1CC1CNc2ccccc2O1
InChIInChI=1S/C17H19NO/c1-2-13-7-3-4-8-14(13)11-15-12-18-16-9-5-6-10-17(16)19-15/h3-10,15,18H,2,11-12H2,1H3
InChIKeyTXYGYDIDBVTOHG-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.66
Rot. Bonds3

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

2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82228863) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82228863
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccccc1CC1CNc2ccccc2O1
InChIInChI=1S/C17H19NO/c1-2-13-7-3-4-8-14(13)11-15-12-18-16-9-5-6-10-17(16)19-15/h3-10,15,18H,2,11-12H2,1H3
InChIKeyTXYGYDIDBVTOHG-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethylphenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82228803
7-methyl-2-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82228820
2-hexyl-3,4-dihydro-2H-1,4-benzoxazine
CID 86212480
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-3-ethylpentan-3-amine
CID 65041406
N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24701248
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine
CID 43199652
2-[[4-(2-methylpropoxy)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82228895
2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43199391
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913570
2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 117051051
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
CID 55000974
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 43527003

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (CID 82228863) is 2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine is CCc1ccccc1CC1CNc2ccccc2O1.
What is the InChIKey of 2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is TXYGYDIDBVTOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-13-7-3-4-8-14(13)11-15-12-18-16-9-5-6-10-17(16)19-15/h3-10,15,18H,2,11-12H2,1H3.
What are the key properties of 2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine?
2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 253.35 g/mol, XLogP of 3.66, 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]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82228863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).