2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine

C18H30N2O3 — CID 95416353

IUPAC2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CCc1ccc2c(c1)NCC(C)(C)O2
InChIInChI=1S/C18H30N2O3/c1-18(2)14-19-16-13-15(5-6-17(16)23-18)7-8-20(9-11-21-3)10-12-22-4/h5-6,13,19H,7-12,14H2,1-4H3
InChIKeyFWFIQYMOSNDRHH-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.41
Rot. Bonds9

About 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine

2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine (PubChem CID 95416353) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine
PubChem CID95416353
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CCc1ccc2c(c1)NCC(C)(C)O2
InChIInChI=1S/C18H30N2O3/c1-18(2)14-19-16-13-15(5-6-17(16)23-18)7-8-20(9-11-21-3)10-12-22-4/h5-6,13,19H,7-12,14H2,1-4H3
InChIKeyFWFIQYMOSNDRHH-UHFFFAOYSA-N
XLogP2.41
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine (CID 95416353) is 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine is COCCN(CCOC)CCc1ccc2c(c1)NCC(C)(C)O2.
What is the InChIKey of 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine?
The InChIKey is FWFIQYMOSNDRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-18(2)14-19-16-13-15(5-6-17(16)23-18)7-8-20(9-11-21-3)10-12-22-4/h5-6,13,19H,7-12,14H2,1-4H3.
What are the key properties of 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine?
2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine has a molecular weight of 322.45 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-N,N-bis(2-methoxyethyl)ethanamine is sourced from PubChem (CID 95416353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).