3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine

C14H18ClNO — CID 117382800

IUPAC3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
SMILESCOc1cc(C2CCNC2)cc(Cl)c1C1CC1
InChIInChI=1S/C14H18ClNO/c1-17-13-7-11(10-4-5-16-8-10)6-12(15)14(13)9-2-3-9/h6-7,9-10,16H,2-5,8H2,1H3
InChIKeyKOVOTNXDGMNJQE-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.30
Rot. Bonds3

About 3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine

3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine (PubChem CID 117382800) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
PubChem CID117382800
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
SMILESCOc1cc(C2CCNC2)cc(Cl)c1C1CC1
InChIInChI=1S/C14H18ClNO/c1-17-13-7-11(10-4-5-16-8-10)6-12(15)14(13)9-2-3-9/h6-7,9-10,16H,2-5,8H2,1H3
InChIKeyKOVOTNXDGMNJQE-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-5-methoxy-4-propan-2-ylphenyl)pyrrolidine
CID 117387946
4-(2,4-dichloro-6-methoxyphenyl)piperidine
CID 156722732
3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine
CID 117476790
3-chloro-4-cyclopropyl-5-methoxyphenol
CID 84668563
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
CID 130969820
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
3-(3-chloro-4-methoxy-5-methylsulfonylphenyl)pyrrolidine
CID 117468030
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine (CID 117382800) is 3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine is COc1cc(C2CCNC2)cc(Cl)c1C1CC1.
What is the InChIKey of 3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine?
The InChIKey is KOVOTNXDGMNJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-17-13-7-11(10-4-5-16-8-10)6-12(15)14(13)9-2-3-9/h6-7,9-10,16H,2-5,8H2,1H3.
What are the key properties of 3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine?
3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine has a molecular weight of 251.76 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 117382800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).