2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide

C19H29BrN2O — CID 3043826

IUPAC2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide
SMILESBr.CCN(CC)CCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C19H28N2O.BrH/c1-5-20(6-2)12-11-19(4)18-15(3)16-9-7-8-10-17(16)21(18)13-14-22-19;/h7-10H,5-6,11-14H2,1-4H3;1H
InChIKeyFYGQNGBZANQPQG-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.50
Rot. Bonds5

About 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide

2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide (PubChem CID 3043826) has the molecular formula C19H29BrN2O and a molecular weight of 381.36 g/mol. Its IUPAC name is 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide.

Molecular Properties

Compound Name2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide
PubChem CID3043826
Molecular FormulaC19H29BrN2O
Molecular Weight381.36 g/mol
Exact Mass380.15
IUPAC Name2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide
SMILESBr.CCN(CC)CCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C19H28N2O.BrH/c1-5-20(6-2)12-11-19(4)18-15(3)16-9-7-8-10-17(16)21(18)13-14-22-19;/h7-10H,5-6,11-14H2,1-4H3;1H
InChIKeyFYGQNGBZANQPQG-UHFFFAOYSA-N
XLogP4.50
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide?
The IUPAC name of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide (CID 3043826) is 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide.
What is the SMILES notation for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide?
The canonical SMILES for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide is Br.CCN(CC)CCC1(C)OCCn2c1c(C)c1ccccc12.
What is the InChIKey of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide?
The InChIKey is FYGQNGBZANQPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.BrH/c1-5-20(6-2)12-11-19(4)18-15(3)16-9-7-8-10-17(16)21(18)13-14-22-19;/h7-10H,5-6,11-14H2,1-4H3;1H.
What are the key properties of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide?
2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide has a molecular weight of 381.36 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide is sourced from PubChem (CID 3043826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).