2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine

C12H18N2O — CID 82112897

IUPAC2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
SMILESCCN1CC(CCN)Oc2ccccc21
InChIInChI=1S/C12H18N2O/c1-2-14-9-10(7-8-13)15-12-6-4-3-5-11(12)14/h3-6,10H,2,7-9,13H2,1H3
InChIKeyJOCNNMYHNOSQSX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.62
Rot. Bonds3

About 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine

2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine (PubChem CID 82112897) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
PubChem CID82112897
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
SMILESCCN1CC(CCN)Oc2ccccc21
InChIInChI=1S/C12H18N2O/c1-2-14-9-10(7-8-13)15-12-6-4-3-5-11(12)14/h3-6,10H,2,7-9,13H2,1H3
InChIKeyJOCNNMYHNOSQSX-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
CID 82114095
4-[[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]methyl]benzamide
CID 17489542
N-[(2,6-dichloro-4-pyridinyl)methyl]-1-[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]-N-methylmethanamine
CID 52536708
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]-N-methylmethanamine
CID 95339584
3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide
CID 18204760
(3aR,7aS)-2-[[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 31910422
3-(1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106431
3-ethyl-2H-1,3-benzoxazole
CID 19969378
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 95280449
N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide
CID 95142790
1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 95153970
N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 94018336

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
The IUPAC name of 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine (CID 82112897) is 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
The canonical SMILES for 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine is CCN1CC(CCN)Oc2ccccc21.
What is the InChIKey of 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
The InChIKey is JOCNNMYHNOSQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-14-9-10(7-8-13)15-12-6-4-3-5-11(12)14/h3-6,10H,2,7-9,13H2,1H3.
What are the key properties of 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine is sourced from PubChem (CID 82112897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).