2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine

C17H28N2O2 — CID 82143067

IUPAC2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine
SMILESCCC1CN(CCOCCN)c2cc(C(C)C)ccc2O1
InChIInChI=1S/C17H28N2O2/c1-4-15-12-19(8-10-20-9-7-18)16-11-14(13(2)3)5-6-17(16)21-15/h5-6,11,13,15H,4,7-10,12,18H2,1-3H3
InChIKeyQYYISAOJEAVQBZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.76
Rot. Bonds7

About 2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine

2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine (PubChem CID 82143067) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine
PubChem CID82143067
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine
SMILESCCC1CN(CCOCCN)c2cc(C(C)C)ccc2O1
InChIInChI=1S/C17H28N2O2/c1-4-15-12-19(8-10-20-9-7-18)16-11-14(13(2)3)5-6-17(16)21-15/h5-6,11,13,15H,4,7-10,12,18H2,1-3H3
InChIKeyQYYISAOJEAVQBZ-UHFFFAOYSA-N
XLogP2.76
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine (CID 82143067) is 2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine is CCC1CN(CCOCCN)c2cc(C(C)C)ccc2O1.
What is the InChIKey of 2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine?
The InChIKey is QYYISAOJEAVQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-15-12-19(8-10-20-9-7-18)16-11-14(13(2)3)5-6-17(16)21-15/h5-6,11,13,15H,4,7-10,12,18H2,1-3H3.
What are the key properties of 2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine?
2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine is sourced from PubChem (CID 82143067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).