1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine

C14H22N2O — CID 84627911

IUPAC1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine
SMILESCCc1ccc2c(c1)N(C)C(C)C(CNC)O2
InChIInChI=1S/C14H22N2O/c1-5-11-6-7-13-12(8-11)16(4)10(2)14(17-13)9-15-3/h6-8,10,14-15H,5,9H2,1-4H3
InChIKeyNFCWMBZHPLFAIZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds3

About 1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine

1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine (PubChem CID 84627911) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine
PubChem CID84627911
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine
SMILESCCc1ccc2c(c1)N(C)C(C)C(CNC)O2
InChIInChI=1S/C14H22N2O/c1-5-11-6-7-13-12(8-11)16(4)10(2)14(17-13)9-15-3/h6-8,10,14-15H,5,9H2,1-4H3
InChIKeyNFCWMBZHPLFAIZ-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine (CID 84627911) is 1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine is CCc1ccc2c(c1)N(C)C(C)C(CNC)O2.
What is the InChIKey of 1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine?
The InChIKey is NFCWMBZHPLFAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-11-6-7-13-12(8-11)16(4)10(2)14(17-13)9-15-3/h6-8,10,14-15H,5,9H2,1-4H3.
What are the key properties of 1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine?
1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84627911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).