2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine

C14H22N2O — CID 82261139

IUPAC2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine
SMILESCCC1CNc2cc(CCN(C)C)ccc2O1
InChIInChI=1S/C14H22N2O/c1-4-12-10-15-13-9-11(7-8-16(2)3)5-6-14(13)17-12/h5-6,9,12,15H,4,7-8,10H2,1-3H3
InChIKeyTWWAGWBVWSLMRB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.37
Rot. Bonds4

About 2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine

2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine (PubChem CID 82261139) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine
PubChem CID82261139
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine
SMILESCCC1CNc2cc(CCN(C)C)ccc2O1
InChIInChI=1S/C14H22N2O/c1-4-12-10-15-13-9-11(7-8-16(2)3)5-6-14(13)17-12/h5-6,9,12,15H,4,7-8,10H2,1-3H3
InChIKeyTWWAGWBVWSLMRB-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine (CID 82261139) is 2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine is CCC1CNc2cc(CCN(C)C)ccc2O1.
What is the InChIKey of 2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine?
The InChIKey is TWWAGWBVWSLMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12-10-15-13-9-11(7-8-16(2)3)5-6-14(13)17-12/h5-6,9,12,15H,4,7-8,10H2,1-3H3.
What are the key properties of 2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine?
2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 82261139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).