3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride

C16H23ClN2O — CID 3043830

IUPAC3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride
SMILESCc1c2n(c3ccccc13)CCOC2(C)CCCN.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-12-13-6-3-4-7-14(13)18-10-11-19-16(2,15(12)18)8-5-9-17;/h3-4,6-7H,5,8-11,17H2,1-2H3;1H
InChIKeyXSWDMTODTCRQJQ-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.36
Rot. Bonds3

About 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride

3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride (PubChem CID 3043830) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride
PubChem CID3043830
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride
SMILESCc1c2n(c3ccccc13)CCOC2(C)CCCN.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-12-13-6-3-4-7-14(13)18-10-11-19-16(2,15(12)18)8-5-9-17;/h3-4,6-7H,5,8-11,17H2,1-2H3;1H
InChIKeyXSWDMTODTCRQJQ-UHFFFAOYSA-N
XLogP3.36
TPSA40.18 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride (CID 3043830) is 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride is Cc1c2n(c3ccccc13)CCOC2(C)CCCN.Cl.
What is the InChIKey of 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride?
The InChIKey is XSWDMTODTCRQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-12-13-6-3-4-7-14(13)18-10-11-19-16(2,15(12)18)8-5-9-17;/h3-4,6-7H,5,8-11,17H2,1-2H3;1H.
What are the key properties of 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride?
3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 3043830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).