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

C11H14ClN — CID 7022802

IUPAC(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
SMILESClc1cccc(C[C@@H]2CCCN2)c1
InChIInChI=1S/C11H14ClN/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h1,3-4,7,11,13H,2,5-6,8H2/t11-/m0/s1
InChIKeyQUAHLSVNDCUURH-NSHDSACASA-N
MW195.69 g/mol
LogP2.63
Rot. Bonds2

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

(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine (PubChem CID 7022802) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (2S)-2-[(3-chlorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
PubChem CID7022802
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
SMILESClc1cccc(C[C@@H]2CCCN2)c1
InChIInChI=1S/C11H14ClN/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h1,3-4,7,11,13H,2,5-6,8H2/t11-/m0/s1
InChIKeyQUAHLSVNDCUURH-NSHDSACASA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
2-[(3-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071001
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133
2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
CID 117359786
3-chloro-5-(pyrrolidin-2-ylmethyl)aniline
CID 84678128
3-[(3-chlorophenyl)methyl]thiomorpholine
CID 82288156
3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine
CID 115008960
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
(3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate
CID 65127484
2-[(3-fluorophenyl)methyl]azepane
CID 62544707

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chlorophenyl)methyl]pyrrolidine?
The IUPAC name of (2S)-2-[(3-chlorophenyl)methyl]pyrrolidine (CID 7022802) is (2S)-2-[(3-chlorophenyl)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(3-chlorophenyl)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(3-chlorophenyl)methyl]pyrrolidine is Clc1cccc(C[C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-2-[(3-chlorophenyl)methyl]pyrrolidine?
The InChIKey is QUAHLSVNDCUURH-NSHDSACASA-N. The full InChI is InChI=1S/C11H14ClN/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h1,3-4,7,11,13H,2,5-6,8H2/t11-/m0/s1.
What are the key properties of (2S)-2-[(3-chlorophenyl)methyl]pyrrolidine?
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine has a molecular weight of 195.69 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chlorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 7022802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).