(3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine

C14H18ClNO — CID 66890173

IUPAC(3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine
SMILESClc1ccccc1O[C@H](C1CC1)[C@H]1CCNC1
InChIInChI=1S/C14H18ClNO/c15-12-3-1-2-4-13(12)17-14(10-5-6-10)11-7-8-16-9-11/h1-4,10-11,14,16H,5-9H2/t11-,14+/m0/s1
InChIKeyHTQRWTSQNPHLGE-SMDDNHRTSA-N
MW251.76 g/mol
LogP3.11
Rot. Bonds4

About (3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine

(3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine (PubChem CID 66890173) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine
PubChem CID66890173
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine
SMILESClc1ccccc1O[C@H](C1CC1)[C@H]1CCNC1
InChIInChI=1S/C14H18ClNO/c15-12-3-1-2-4-13(12)17-14(10-5-6-10)11-7-8-16-9-11/h1-4,10-11,14,16H,5-9H2/t11-,14+/m0/s1
InChIKeyHTQRWTSQNPHLGE-SMDDNHRTSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(S)-(2-chlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
CID 66859425
3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine
CID 76656768
(3S)-3-[(R)-(4-chloro-2,3-difluorophenoxy)-cyclopropylmethyl]pyrrolidine
CID 66892080
(3S)-3-[(1R)-1-(2-chlorophenoxy)butyl]pyrrolidine
CID 66892158
(3R)-3-[(R)-[3-chloro-2-(trifluoromethyl)phenoxy]-(oxan-4-yl)methyl]pyrrolidine
CID 66848904
(3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
CID 66860705
(3S)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine
CID 66889324
(3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine
CID 66848895
(3S)-3-[cyclohexyl-(2-nitrophenoxy)methyl]pyrrolidine
CID 66890273
(3S)-3-[(S)-(4-chloro-2-cyclohexylphenoxy)-cyclopropylmethyl]pyrrolidine
CID 66892355
3-[(1S)-1-(2,3-dichlorophenoxy)-2-methylsulfanylethyl]pyrrolidine
CID 66848829
4-[(S)-(2-chlorophenoxy)-nitromethyl]piperidine
CID 90763620

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine (CID 66890173) is (3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine is Clc1ccccc1O[C@H](C1CC1)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine?
The InChIKey is HTQRWTSQNPHLGE-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-3-1-2-4-13(12)17-14(10-5-6-10)11-7-8-16-9-11/h1-4,10-11,14,16H,5-9H2/t11-,14+/m0/s1.
What are the key properties of (3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine?
(3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine has a molecular weight of 251.76 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine is sourced from PubChem (CID 66890173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).