(2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine

C12H16ClNO — CID 126641906

IUPAC(2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine
SMILESCO[C@@H]1CN[C@@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c1-15-12-7-11(14-8-12)6-9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3/t11-,12-/m0/s1
InChIKeyXVIRNOPNCWBLKT-RYUDHWBXSA-N
MW225.72 g/mol
LogP2.26
Rot. Bonds3

About (2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine

(2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine (PubChem CID 126641906) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine.

Molecular Properties

Compound Name(2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine
PubChem CID126641906
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine
SMILESCO[C@@H]1CN[C@@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c1-15-12-7-11(14-8-12)6-9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3/t11-,12-/m0/s1
InChIKeyXVIRNOPNCWBLKT-RYUDHWBXSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine?
The IUPAC name of (2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine (CID 126641906) is (2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine.
What is the SMILES notation for (2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine?
The canonical SMILES for (2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine is CO[C@@H]1CN[C@@H](Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine?
The InChIKey is XVIRNOPNCWBLKT-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-12-7-11(14-8-12)6-9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine?
(2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine has a molecular weight of 225.72 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine is sourced from PubChem (CID 126641906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).