2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine

C13H18ClNO — CID 174595091

IUPAC2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
SMILESClCCOc1ccc(CC2CCCN2)cc1
InChIInChI=1S/C13H18ClNO/c14-7-9-16-13-5-3-11(4-6-13)10-12-2-1-8-15-12/h3-6,12,15H,1-2,7-10H2
InChIKeySQTGXRMZFSYESI-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.60
Rot. Bonds5

About 2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine

2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine (PubChem CID 174595091) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
PubChem CID174595091
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
SMILESClCCOc1ccc(CC2CCCN2)cc1
InChIInChI=1S/C13H18ClNO/c14-7-9-16-13-5-3-11(4-6-13)10-12-2-1-8-15-12/h3-6,12,15H,1-2,7-10H2
InChIKeySQTGXRMZFSYESI-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[3-(4-propylphenoxy)propyl]pyrrolidine
CID 62548215
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165
2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117296650
2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine
CID 117413830
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine
CID 117377105

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine (CID 174595091) is 2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine is ClCCOc1ccc(CC2CCCN2)cc1.
What is the InChIKey of 2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine?
The InChIKey is SQTGXRMZFSYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-7-9-16-13-5-3-11(4-6-13)10-12-2-1-8-15-12/h3-6,12,15H,1-2,7-10H2.
What are the key properties of 2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine?
2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine has a molecular weight of 239.75 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 174595091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).