2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine

C15H20ClNO — CID 117418732

IUPAC2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine
SMILESClc1ccc(OC2CCC2)c(CC2CCCN2)c1
InChIInChI=1S/C15H20ClNO/c16-12-6-7-15(18-14-4-1-5-14)11(9-12)10-13-3-2-8-17-13/h6-7,9,13-14,17H,1-5,8,10H2
InChIKeyIAHQDNUXUOTFFP-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.57
Rot. Bonds4

About 2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine

2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine (PubChem CID 117418732) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine
PubChem CID117418732
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine
SMILESClc1ccc(OC2CCC2)c(CC2CCCN2)c1
InChIInChI=1S/C15H20ClNO/c16-12-6-7-15(18-14-4-1-5-14)11(9-12)10-13-3-2-8-17-13/h6-7,9,13-14,17H,1-5,8,10H2
InChIKeyIAHQDNUXUOTFFP-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine
CID 117366139
4-chloro-2-(chloromethyl)-1-cyclopentyloxybenzene
CID 43141955
2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
CID 117494580
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 54931099
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
CID 117387894
4-(4-chloro-2-ethylphenoxy)piperidine
CID 22397478
2-[(5-chloro-2-methoxyphenyl)methoxymethyl]piperidine
CID 55060618
2-[(5-chloro-2-methylsulfonylphenyl)methyl]piperidine
CID 117464516
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine (CID 117418732) is 2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine is Clc1ccc(OC2CCC2)c(CC2CCCN2)c1.
What is the InChIKey of 2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine?
The InChIKey is IAHQDNUXUOTFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-12-6-7-15(18-14-4-1-5-14)11(9-12)10-13-3-2-8-17-13/h6-7,9,13-14,17H,1-5,8,10H2.
What are the key properties of 2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine?
2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine has a molecular weight of 265.78 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117418732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).