1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride

C30H34ClNO2 — CID 24845439

IUPAC1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride
SMILESCOc1ccc2c(c1)CC(c1ccccc1)=C2c1ccc(OCCN2CCCC2(C)C)cc1.Cl
InChIInChI=1S/C30H33NO2.ClH/c1-30(2)16-7-17-31(30)18-19-33-25-12-10-23(11-13-25)29-27-15-14-26(32-3)20-24(27)21-28(29)22-8-5-4-6-9-22;/h4-6,8-15,20H,7,16-19,21H2,1-3H3;1H
InChIKeyDPZNIXHCJSFUQS-UHFFFAOYSA-N
MW476.06 g/mol
LogP6.89
Rot. Bonds7

About 1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride

1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride (PubChem CID 24845439) has the molecular formula C30H34ClNO2 and a molecular weight of 476.06 g/mol. Its IUPAC name is 1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride
PubChem CID24845439
Molecular FormulaC30H34ClNO2
Molecular Weight476.06 g/mol
Exact Mass475.23
IUPAC Name1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride
SMILESCOc1ccc2c(c1)CC(c1ccccc1)=C2c1ccc(OCCN2CCCC2(C)C)cc1.Cl
InChIInChI=1S/C30H33NO2.ClH/c1-30(2)16-7-17-31(30)18-19-33-25-12-10-23(11-13-25)29-27-15-14-26(32-3)20-24(27)21-28(29)22-8-5-4-6-9-22;/h4-6,8-15,20H,7,16-19,21H2,1-3H3;1H
InChIKeyDPZNIXHCJSFUQS-UHFFFAOYSA-N
XLogP6.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.06
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;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

N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine
CID 10718119
methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
CID 160973980
(3S)-1-[(2R)-1-[4-[5-methoxy-2-(3-methoxyphenyl)-3H-inden-1-yl]phenoxy]propan-2-yl]-3-methylpyrrolidine
CID 123697708
4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline
CID 11611567
1-[2-[3-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
CID 3069186
6-methyl-2,3-diphenyl-1H-indene
CID 102161513
1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
CID 142632919
[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 12017123
butyl 6-methoxy-3-phenyl-1H-indene-2-carboxylate
CID 11324732
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride
CID 11617475

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride?
The IUPAC name of 1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride (CID 24845439) is 1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride.
What is the SMILES notation for 1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride?
The canonical SMILES for 1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride is COc1ccc2c(c1)CC(c1ccccc1)=C2c1ccc(OCCN2CCCC2(C)C)cc1.Cl.
What is the InChIKey of 1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride?
The InChIKey is DPZNIXHCJSFUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO2.ClH/c1-30(2)16-7-17-31(30)18-19-33-25-12-10-23(11-13-25)29-27-15-14-26(32-3)20-24(27)21-28(29)22-8-5-4-6-9-22;/h4-6,8-15,20H,7,16-19,21H2,1-3H3;1H.
What are the key properties of 1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride?
1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride has a molecular weight of 476.06 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride is sourced from PubChem (CID 24845439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).