3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride

C17H20Cl2N2O — CID 3062480

IUPAC3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1c2ccccc2Oc2ccc(Cl)cc21.Cl
InChIInChI=1S/C17H19ClN2O.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
InChIKeyUFCZSZRSTDRZAJ-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.96
Rot. Bonds4

About 3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride

3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 3062480) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is 3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID3062480
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC Name3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1c2ccccc2Oc2ccc(Cl)cc21.Cl
InChIInChI=1S/C17H19ClN2O.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
InChIKeyUFCZSZRSTDRZAJ-UHFFFAOYSA-N
XLogP4.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride (CID 3062480) is 3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCN1c2ccccc2Oc2ccc(Cl)cc21.Cl.
What is the InChIKey of 3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is UFCZSZRSTDRZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H.
What are the key properties of 3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 339.27 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 3062480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).