N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine

C19H32N2O2 — CID 82071623

IUPACN-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)CCCc1cc2c(c(OCC)c1)OCCN2
InChIInChI=1S/C19H32N2O2/c1-4-7-11-21(5-2)12-8-9-16-14-17-19(23-13-10-20-17)18(15-16)22-6-3/h14-15,20H,4-13H2,1-3H3
InChIKeyTVIJVYAVLGURKB-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.94
Rot. Bonds10

About N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine

N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine (PubChem CID 82071623) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine
PubChem CID82071623
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)CCCc1cc2c(c(OCC)c1)OCCN2
InChIInChI=1S/C19H32N2O2/c1-4-7-11-21(5-2)12-8-9-16-14-17-19(23-13-10-20-17)18(15-16)22-6-3/h14-15,20H,4-13H2,1-3H3
InChIKeyTVIJVYAVLGURKB-UHFFFAOYSA-N
XLogP3.94
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine (CID 82071623) is N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine is CCCCN(CC)CCCc1cc2c(c(OCC)c1)OCCN2.
What is the InChIKey of N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine?
The InChIKey is TVIJVYAVLGURKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-4-7-11-21(5-2)12-8-9-16-14-17-19(23-13-10-20-17)18(15-16)22-6-3/h14-15,20H,4-13H2,1-3H3.
What are the key properties of N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine?
N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine has a molecular weight of 320.48 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-ethoxy-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 82071623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).