3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine

C15H20ClNO — CID 76656768

IUPAC3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine
SMILESCc1c(Cl)cccc1OC(C1CC1)C1CCNC1
InChIInChI=1S/C15H20ClNO/c1-10-13(16)3-2-4-14(10)18-15(11-5-6-11)12-7-8-17-9-12/h2-4,11-12,15,17H,5-9H2,1H3
InChIKeyNKJPQLJUUBHTMP-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.42
Rot. Bonds4

About 3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine

3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine (PubChem CID 76656768) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine
PubChem CID76656768
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine
SMILESCc1c(Cl)cccc1OC(C1CC1)C1CCNC1
InChIInChI=1S/C15H20ClNO/c1-10-13(16)3-2-4-14(10)18-15(11-5-6-11)12-7-8-17-9-12/h2-4,11-12,15,17H,5-9H2,1H3
InChIKeyNKJPQLJUUBHTMP-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine?
The IUPAC name of 3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine (CID 76656768) is 3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine.
What is the SMILES notation for 3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine?
The canonical SMILES for 3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine is Cc1c(Cl)cccc1OC(C1CC1)C1CCNC1.
What is the InChIKey of 3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine?
The InChIKey is NKJPQLJUUBHTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-10-13(16)3-2-4-14(10)18-15(11-5-6-11)12-7-8-17-9-12/h2-4,11-12,15,17H,5-9H2,1H3.
What are the key properties of 3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine?
3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine has a molecular weight of 265.78 g/mol, XLogP of 3.42, 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-methylphenoxy)-cyclopropylmethyl]pyrrolidine is sourced from PubChem (CID 76656768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).