1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine

C14H17ClF3NO — CID 58946161

IUPAC1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
SMILESCc1cc(OCCN2CCCC2)cc(Cl)c1C(F)(F)F
InChIInChI=1S/C14H17ClF3NO/c1-10-8-11(9-12(15)13(10)14(16,17)18)20-7-6-19-4-2-3-5-19/h8-9H,2-7H2,1H3
InChIKeyUNYCLMXKPWAZEO-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.14
Rot. Bonds4

About 1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine

1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine (PubChem CID 58946161) has the molecular formula C14H17ClF3NO and a molecular weight of 307.74 g/mol. Its IUPAC name is 1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
PubChem CID58946161
Molecular FormulaC14H17ClF3NO
Molecular Weight307.74 g/mol
Exact Mass307.10
IUPAC Name1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
SMILESCc1cc(OCCN2CCCC2)cc(Cl)c1C(F)(F)F
InChIInChI=1S/C14H17ClF3NO/c1-10-8-11(9-12(15)13(10)14(16,17)18)20-7-6-19-4-2-3-5-19/h8-9H,2-7H2,1H3
InChIKeyUNYCLMXKPWAZEO-UHFFFAOYSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine 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

1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 83134389
3-[2-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 83134569
1-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-4-(trifluoromethyl)piperidine
CID 170855062
2-methyl-4-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 81281553
1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 90706793
1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
CID 166906888
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine (CID 58946161) is 1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine is Cc1cc(OCCN2CCCC2)cc(Cl)c1C(F)(F)F.
What is the InChIKey of 1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The InChIKey is UNYCLMXKPWAZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO/c1-10-8-11(9-12(15)13(10)14(16,17)18)20-7-6-19-4-2-3-5-19/h8-9H,2-7H2,1H3.
What are the key properties of 1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine has a molecular weight of 307.74 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 58946161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).