3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine

C14H18ClNO — CID 66890175

IUPAC3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine
SMILESClc1ccccc1OC1(CC2CCNC2)CC1
InChIInChI=1S/C14H18ClNO/c15-12-3-1-2-4-13(12)17-14(6-7-14)9-11-5-8-16-10-11/h1-4,11,16H,5-10H2
InChIKeyPLNLWJGBPKFBDR-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.25
Rot. Bonds4

About 3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine

3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine (PubChem CID 66890175) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine
PubChem CID66890175
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine
SMILESClc1ccccc1OC1(CC2CCNC2)CC1
InChIInChI=1S/C14H18ClNO/c15-12-3-1-2-4-13(12)17-14(6-7-14)9-11-5-8-16-10-11/h1-4,11,16H,5-10H2
InChIKeyPLNLWJGBPKFBDR-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(3-chloro-2-methylphenoxy)cyclopropyl]methyl]pyrrolidine
CID 66848749
3-[(1-methoxycyclopropyl)methyl]pyrrolidine
CID 84763658
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 56829907
(3R)-3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 86320752
2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537624
5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 117231908
[1-(2,3-dichlorophenoxy)cyclopropyl]methanamine
CID 83920752
3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
CID 62370752
(3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine
CID 66890173
3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine
CID 84704216
3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine
CID 56898536

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of 3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine (CID 66890175) is 3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for 3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for 3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine is Clc1ccccc1OC1(CC2CCNC2)CC1.
What is the InChIKey of 3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine?
The InChIKey is PLNLWJGBPKFBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-3-1-2-4-13(12)17-14(6-7-14)9-11-5-8-16-10-11/h1-4,11,16H,5-10H2.
What are the key properties of 3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine?
3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine has a molecular weight of 251.76 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 66890175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).