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

C17H25BrN2O — CID 3043824

IUPAC2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine;hydrobromide
SMILESBr.CCNCCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C17H24N2O.BrH/c1-4-18-10-9-17(3)16-13(2)14-7-5-6-8-15(14)19(16)11-12-20-17;/h5-8,18H,4,9-12H2,1-3H3;1H
InChIKeyBOSHITSNIXVVFV-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.77
Rot. Bonds4

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

2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine;hydrobromide (PubChem CID 3043824) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine;hydrobromide.

Molecular Properties

Compound Name2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine;hydrobromide
PubChem CID3043824
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine;hydrobromide
SMILESBr.CCNCCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C17H24N2O.BrH/c1-4-18-10-9-17(3)16-13(2)14-7-5-6-8-15(14)19(16)11-12-20-17;/h5-8,18H,4,9-12H2,1-3H3;1H
InChIKeyBOSHITSNIXVVFV-UHFFFAOYSA-N
XLogP3.77
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-ethylethanamine;hydrobromide?
The IUPAC name of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine;hydrobromide (CID 3043824) is 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine;hydrobromide.
What is the SMILES notation for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine;hydrobromide?
The canonical SMILES for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine;hydrobromide is Br.CCNCCC1(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-ethylethanamine;hydrobromide?
The InChIKey is BOSHITSNIXVVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.BrH/c1-4-18-10-9-17(3)16-13(2)14-7-5-6-8-15(14)19(16)11-12-20-17;/h5-8,18H,4,9-12H2,1-3H3;1H.
What are the key properties of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine;hydrobromide?
2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine;hydrobromide has a molecular weight of 353.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 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-ethylethanamine;hydrobromide is sourced from PubChem (CID 3043824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).