2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine

C15H20ClNO — CID 117418918

IUPAC2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine
SMILESClc1cc(CC2CCCN2)ccc1C1CCOC1
InChIInChI=1S/C15H20ClNO/c16-15-9-11(8-13-2-1-6-17-13)3-4-14(15)12-5-7-18-10-12/h3-4,9,12-13,17H,1-2,5-8,10H2
InChIKeyBTAABYHISVGZDA-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.14
Rot. Bonds3

About 2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine

2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine (PubChem CID 117418918) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine
PubChem CID117418918
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine
SMILESClc1cc(CC2CCCN2)ccc1C1CCOC1
InChIInChI=1S/C15H20ClNO/c16-15-9-11(8-13-2-1-6-17-13)3-4-14(15)12-5-7-18-10-12/h3-4,9,12-13,17H,1-2,5-8,10H2
InChIKeyBTAABYHISVGZDA-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine
CID 117418869
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
3-chloro-4-(oxolan-3-yl)phenol
CID 84668553
2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117352079
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 117447160
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
1-[2-chloro-4-(pyrrolidin-2-ylmethyl)phenyl]-1,2,4-triazole
CID 117411512
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine
CID 104687986
2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine
CID 117356635

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine (CID 117418918) is 2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine is Clc1cc(CC2CCCN2)ccc1C1CCOC1.
What is the InChIKey of 2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine?
The InChIKey is BTAABYHISVGZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-15-9-11(8-13-2-1-6-17-13)3-4-14(15)12-5-7-18-10-12/h3-4,9,12-13,17H,1-2,5-8,10H2.
What are the key properties of 2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine?
2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine has a molecular weight of 265.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117418918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).