(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine

C12H16ClNO — CID 35754000

IUPAC(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
SMILESClc1cccc(COC[C@@H]2CCCN2)c1
InChIInChI=1S/C12H16ClNO/c13-11-4-1-3-10(7-11)8-15-9-12-5-2-6-14-12/h1,3-4,7,12,14H,2,5-6,8-9H2/t12-/m0/s1
InChIKeyQGFAIHMYLUWEMQ-LBPRGKRZSA-N
MW225.72 g/mol
LogP2.61
Rot. Bonds4

About (2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine

(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine (PubChem CID 35754000) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
PubChem CID35754000
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
SMILESClc1cccc(COC[C@@H]2CCCN2)c1
InChIInChI=1S/C12H16ClNO/c13-11-4-1-3-10(7-11)8-15-9-12-5-2-6-14-12/h1,3-4,7,12,14H,2,5-6,8-9H2/t12-/m0/s1
InChIKeyQGFAIHMYLUWEMQ-LBPRGKRZSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methoxymethyl]azetidine
CID 115070958
2-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 62333428
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
(3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate
CID 65127484
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068
2-[(3-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071001
2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
CID 71639901
[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
CID 106937811
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine?
The IUPAC name of (2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine (CID 35754000) is (2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine is Clc1cccc(COC[C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine?
The InChIKey is QGFAIHMYLUWEMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-4-1-3-10(7-11)8-15-9-12-5-2-6-14-12/h1,3-4,7,12,14H,2,5-6,8-9H2/t12-/m0/s1.
What are the key properties of (2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine?
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine has a molecular weight of 225.72 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 35754000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).