3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine

C15H20ClNO — CID 117418768

IUPAC3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
SMILESClc1cc(OCC2CCC2)cc(C2CCNC2)c1
InChIInChI=1S/C15H20ClNO/c16-14-6-13(12-4-5-17-9-12)7-15(8-14)18-10-11-2-1-3-11/h6-8,11-12,17H,1-5,9-10H2
InChIKeyRCKPRMSKCWZUIW-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.60
Rot. Bonds4

About 3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine

3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine (PubChem CID 117418768) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
PubChem CID117418768
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
SMILESClc1cc(OCC2CCC2)cc(C2CCNC2)c1
InChIInChI=1S/C15H20ClNO/c16-14-6-13(12-4-5-17-9-12)7-15(8-14)18-10-11-2-1-3-11/h6-8,11-12,17H,1-5,9-10H2
InChIKeyRCKPRMSKCWZUIW-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine
CID 117474195
(3S)-3-[(3-bromo-5-chlorophenoxy)methyl]pyrrolidine;hydrochloride
CID 166175564
3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
CID 117449128
1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
CID 138985972
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
4-[(3-chlorophenoxy)methyl]piperidine
CID 26191052
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
3-[(3-chloro-5-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 164885735
3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
CID 15541141
1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117423442
(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine
CID 117382831
ethyl 3-chloro-5-pyrrolidin-3-ylbenzoate
CID 69176656

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine?
The IUPAC name of 3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine (CID 117418768) is 3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine.
What is the SMILES notation for 3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine?
The canonical SMILES for 3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine is Clc1cc(OCC2CCC2)cc(C2CCNC2)c1.
What is the InChIKey of 3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine?
The InChIKey is RCKPRMSKCWZUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-6-13(12-4-5-17-9-12)7-15(8-14)18-10-11-2-1-3-11/h6-8,11-12,17H,1-5,9-10H2.
What are the key properties of 3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine?
3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine has a molecular weight of 265.78 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 117418768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).