4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride

C23H29ClN2O — CID 173459830

IUPAC4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride
SMILESCN1c2ccccc2C(C)(C)C1C=Cc1ccc(N2CCOCC2)cc1.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-23(2)20-6-4-5-7-21(20)24(3)22(23)13-10-18-8-11-19(12-9-18)25-14-16-26-17-15-25;/h4-13,22H,14-17H2,1-3H3;1H
InChIKeyLYSRSDAEKBVDHZ-UHFFFAOYSA-N
MW384.95 g/mol
LogP4.75
Rot. Bonds3

About 4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride

4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride (PubChem CID 173459830) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride
PubChem CID173459830
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride
SMILESCN1c2ccccc2C(C)(C)C1C=Cc1ccc(N2CCOCC2)cc1.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-23(2)20-6-4-5-7-21(20)24(3)22(23)13-10-18-8-11-19(12-9-18)25-14-16-26-17-15-25;/h4-13,22H,14-17H2,1-3H3;1H
InChIKeyLYSRSDAEKBVDHZ-UHFFFAOYSA-N
XLogP4.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;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 4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride?
The IUPAC name of 4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride (CID 173459830) is 4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride?
The canonical SMILES for 4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride is CN1c2ccccc2C(C)(C)C1C=Cc1ccc(N2CCOCC2)cc1.Cl.
What is the InChIKey of 4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride?
The InChIKey is LYSRSDAEKBVDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O.ClH/c1-23(2)20-6-4-5-7-21(20)24(3)22(23)13-10-18-8-11-19(12-9-18)25-14-16-26-17-15-25;/h4-13,22H,14-17H2,1-3H3;1H.
What are the key properties of 4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride?
4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride is sourced from PubChem (CID 173459830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).