3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine

C14H20ClNO — CID 116925460

IUPAC3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine
SMILESCOc1c(C)cc(Cl)cc1CCC1CCNC1
InChIInChI=1S/C14H20ClNO/c1-10-7-13(15)8-12(14(10)17-2)4-3-11-5-6-16-9-11/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyOUJNLYXQPZZYNR-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.20
Rot. Bonds4

About 3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine

3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine (PubChem CID 116925460) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine
PubChem CID116925460
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine
SMILESCOc1c(C)cc(Cl)cc1CCC1CCNC1
InChIInChI=1S/C14H20ClNO/c1-10-7-13(15)8-12(14(10)17-2)4-3-11-5-6-16-9-11/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyOUJNLYXQPZZYNR-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine
CID 82287755
2-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 116825296
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928217
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine
CID 75357498
3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
CID 15541141
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
3-[2-(4-tert-butyl-2-methylphenyl)ethyl]pyrrolidine
CID 116925484
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine (CID 116925460) is 3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine is COc1c(C)cc(Cl)cc1CCC1CCNC1.
What is the InChIKey of 3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine?
The InChIKey is OUJNLYXQPZZYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-7-13(15)8-12(14(10)17-2)4-3-11-5-6-16-9-11/h7-8,11,16H,3-6,9H2,1-2H3.
What are the key properties of 3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine?
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine has a molecular weight of 253.77 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 116925460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).