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

C16H23ClN2O — CID 3043822

IUPAC2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride
SMILESCNCCC1(C)OCCn2c1c(C)c1ccccc12.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-12-13-6-4-5-7-14(13)18-10-11-19-16(2,15(12)18)8-9-17-3;/h4-7,17H,8-11H2,1-3H3;1H
InChIKeyVZHWLFWBEFIJPA-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.23
Rot. Bonds3

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

2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride (PubChem CID 3043822) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride
PubChem CID3043822
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride
SMILESCNCCC1(C)OCCn2c1c(C)c1ccccc12.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-12-13-6-4-5-7-14(13)18-10-11-19-16(2,15(12)18)8-9-17-3;/h4-7,17H,8-11H2,1-3H3;1H
InChIKeyVZHWLFWBEFIJPA-UHFFFAOYSA-N
XLogP3.23
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
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-methylethanamine;hydrochloride?
The IUPAC name of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride (CID 3043822) is 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride is CNCCC1(C)OCCn2c1c(C)c1ccccc12.Cl.
What is the InChIKey of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride?
The InChIKey is VZHWLFWBEFIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-12-13-6-4-5-7-14(13)18-10-11-19-16(2,15(12)18)8-9-17-3;/h4-7,17H,8-11H2,1-3H3;1H.
What are the key properties of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride?
2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylethanamine;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 3.23, 3 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-methylethanamine;hydrochloride is sourced from PubChem (CID 3043822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).