3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine

C16H22ClNO — CID 117449128

IUPAC3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
SMILESCc1cc(Cl)c(OCC2CCC2)c(C2CCNC2)c1
InChIInChI=1S/C16H22ClNO/c1-11-7-14(13-5-6-18-9-13)16(15(17)8-11)19-10-12-3-2-4-12/h7-8,12-13,18H,2-6,9-10H2,1H3
InChIKeyFEUYKOHRIRWFJR-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.90
Rot. Bonds4

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

3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine (PubChem CID 117449128) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine.

Molecular Properties

Compound Name3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
PubChem CID117449128
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
SMILESCc1cc(Cl)c(OCC2CCC2)c(C2CCNC2)c1
InChIInChI=1S/C16H22ClNO/c1-11-7-14(13-5-6-18-9-13)16(15(17)8-11)19-10-12-3-2-4-12/h7-8,12-13,18H,2-6,9-10H2,1H3
InChIKeyFEUYKOHRIRWFJR-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117436703
4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117402856
2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine
CID 117449166
3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
CID 84690826
3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone
CID 117384912
3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117418768
(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine
CID 86320246
3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
CID 15541141
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
CID 117469664
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine
CID 117477272
(E)-3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]prop-2-en-1-amine
CID 117418834

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine?
The IUPAC name of 3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine (CID 117449128) is 3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine.
What is the SMILES notation for 3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine?
The canonical SMILES for 3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine is Cc1cc(Cl)c(OCC2CCC2)c(C2CCNC2)c1.
What is the InChIKey of 3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine?
The InChIKey is FEUYKOHRIRWFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-11-7-14(13-5-6-18-9-13)16(15(17)8-11)19-10-12-3-2-4-12/h7-8,12-13,18H,2-6,9-10H2,1H3.
What are the key properties of 3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine?
3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine has a molecular weight of 279.81 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine is sourced from PubChem (CID 117449128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).