(3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride

C19H22ClNOS — CID 6446686

IUPAC(3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCOc1ccc2c(c1)/C(=C/CCN(C)C)c1ccccc1S2.Cl
InChIInChI=1S/C19H21NOS.ClH/c1-20(2)12-6-8-15-16-7-4-5-9-18(16)22-19-11-10-14(21-3)13-17(15)19;/h4-5,7-11,13H,6,12H2,1-3H3;1H/b15-8+;
InChIKeyGCUAMEPHMLSQKS-TWNLEINFSA-N
MW347.91 g/mol
LogP4.97
Rot. Bonds4

About (3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride

(3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 6446686) has the molecular formula C19H22ClNOS and a molecular weight of 347.91 g/mol. Its IUPAC name is (3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID6446686
Molecular FormulaC19H22ClNOS
Molecular Weight347.91 g/mol
Exact Mass347.11
IUPAC Name(3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCOc1ccc2c(c1)/C(=C/CCN(C)C)c1ccccc1S2.Cl
InChIInChI=1S/C19H21NOS.ClH/c1-20(2)12-6-8-15-16-7-4-5-9-18(16)22-19-11-10-14(21-3)13-17(15)19;/h4-5,7-11,13H,6,12H2,1-3H3;1H/b15-8+;
InChIKeyGCUAMEPHMLSQKS-TWNLEINFSA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

Analyze (3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-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

Related Compounds

Meprotixol
CID 71195
CID 23723150
CID 23723150
Thioxanthen-9-one, 2-(3-(dimethylamino)propoxy)-, hydrochloride, hydrate
CID 208151
Thioxanthen-9-ol, 2-(benzyloxy)-9-(3-(dimethylamino)propyl)-
CID 214057
Benzeneethanamine, 2-((2-methoxyphenyl)thio)-N,N,alpha-trimethyl-, hydrochloride
CID 3075834
Benzenemethanamine, N,N-dimethyl-2-((4-methoxyphenyl)thio)-, hydrochloride
CID 3080283
Triethylamine, 2-((9-benzylidenethioxanthen-2-yl)oxy)-, hydrochloride
CID 6444970
Thioxanthene-delta(sup 9,gamma)-propylamine, 2-(benzyloxy)-, hydrochloride (Z)-
CID 6444973
Thioxanthen-2-ol, 9-(3-(dimethylamino)propylidene)-, hydrochloride, (Z)-
CID 6444977
Thioxanthen-2-ol, 9-(3-(dimethylamino)propylidene)-, hydrochloride, (E)-
CID 6444979
Thioxanthene, 2-methoxy-9-(3-(dimethylamino)propylidene)-, hydrochloride, (Z)-
CID 6446687
Thioxanthene, 2-methoxy-9-(3-(methylamino)propylidene)-, hydrochloride
CID 6446688

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of (3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride (CID 6446686) is (3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for (3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for (3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride is COc1ccc2c(c1)/C(=C/CCN(C)C)c1ccccc1S2.Cl.
What is the InChIKey of (3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is GCUAMEPHMLSQKS-TWNLEINFSA-N. The full InChI is InChI=1S/C19H21NOS.ClH/c1-20(2)12-6-8-15-16-7-4-5-9-18(16)22-19-11-10-14(21-3)13-17(15)19;/h4-5,7-11,13H,6,12H2,1-3H3;1H/b15-8+;.
What are the key properties of (3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride?
(3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 6446686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).