(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine

C13H19NO — CID 35753990

IUPAC(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
SMILESCc1ccc(COC[C@@H]2CCCN2)cc1
InChIInChI=1S/C13H19NO/c1-11-4-6-12(7-5-11)9-15-10-13-3-2-8-14-13/h4-7,13-14H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyCMEPFQSVHHGTSJ-ZDUSSCGKSA-N
MW205.30 g/mol
LogP2.26
Rot. Bonds4

About (2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine

(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine (PubChem CID 35753990) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
PubChem CID35753990
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
SMILESCc1ccc(COC[C@@H]2CCCN2)cc1
InChIInChI=1S/C13H19NO/c1-11-4-6-12(7-5-11)9-15-10-13-3-2-8-14-13/h4-7,13-14H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyCMEPFQSVHHGTSJ-ZDUSSCGKSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
CID 106937811
(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
CID 86324715
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride
CID 142630227
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
CID 71639901
5-[(4-methylphenyl)methoxymethyl]pyrrolidine-3-thiol
CID 18440976
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
2-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 62333428
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine?
The IUPAC name of (2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine (CID 35753990) is (2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine is Cc1ccc(COC[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine?
The InChIKey is CMEPFQSVHHGTSJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-4-6-12(7-5-11)9-15-10-13-3-2-8-14-13/h4-7,13-14H,2-3,8-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine?
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 35753990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).