1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride

C19H28ClNO — CID 110185256

IUPAC1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride
SMILES[Cl-].c1ccc(C(OCC[NH+]2CCCC2)=C2CCCCC2)cc1
InChIInChI=1S/C19H27NO.ClH/c1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)21-16-15-20-13-7-8-14-20;/h1,3-4,9-10H,2,5-8,11-16H2;1H
InChIKeyJHWFAMCMHUWSCD-UHFFFAOYSA-N
MW321.89 g/mol
LogP0.06
Rot. Bonds5

About 1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride

1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride (PubChem CID 110185256) has the molecular formula C19H28ClNO and a molecular weight of 321.89 g/mol. Its IUPAC name is 1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride.

Molecular Properties

Compound Name1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride
PubChem CID110185256
Molecular FormulaC19H28ClNO
Molecular Weight321.89 g/mol
Exact Mass321.19
IUPAC Name1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride
SMILES[Cl-].c1ccc(C(OCC[NH+]2CCCC2)=C2CCCCC2)cc1
InChIInChI=1S/C19H27NO.ClH/c1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)21-16-15-20-13-7-8-14-20;/h1,3-4,9-10H,2,5-8,11-16H2;1H
InChIKeyJHWFAMCMHUWSCD-UHFFFAOYSA-N
XLogP0.06
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.89
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride 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

2-Phenylmorpholine
CID 91101
[(S)-1-(2-Benzhydryloxy-ethyl)-pyrrolidin-2-ylmethyl]-(3-phenyl-propyl)-amine
CID 10693845
Lactoglobulins, beta-
CID 167312513
Pyrrolidine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-, hydrochloride
CID 3024524
N-Desmethyldiphenhydramine
CID 40791
N-(2-Benzhydryloxy-ethyl)-N,N''-dimethyl-ethane-1,2-diamine
CID 10732853
Orphenandrine
CID 28655
2-Phenylmorpholine hydrochloride
CID 12343539
Amixetrine
CID 71911
N-[2-(benzhydryloxy)ethyl]-N-ethylamine
CID 9549164
[(R)-1-(2-Benzhydryloxy-ethyl)-pyrrolidin-2-ylmethyl]-(3-phenyl-propyl)-amine
CID 10526569
N*1*-(2-Benzhydryloxy-ethyl)-2,2-dimethyl-propane-1,3-diamine
CID 10757515

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride?
The IUPAC name of 1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride (CID 110185256) is 1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride.
What is the SMILES notation for 1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride?
The canonical SMILES for 1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride is [Cl-].c1ccc(C(OCC[NH+]2CCCC2)=C2CCCCC2)cc1.
What is the InChIKey of 1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride?
The InChIKey is JHWFAMCMHUWSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO.ClH/c1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)21-16-15-20-13-7-8-14-20;/h1,3-4,9-10H,2,5-8,11-16H2;1H.
What are the key properties of 1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride?
1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride has a molecular weight of 321.89 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexylidene(phenyl)methoxy]ethyl]pyrrolidin-1-ium chloride is sourced from PubChem (CID 110185256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).