2-[(4-methylphenyl)methyl]pyrrolidine

C12H17N — CID 3510571

IUPAC2-[(4-methylphenyl)methyl]pyrrolidine
SMILESCc1ccc(CC2CCCN2)cc1
InChIInChI=1S/C12H17N/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h4-7,12-13H,2-3,8-9H2,1H3
InChIKeyGEWCVCGRSMUACB-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.29
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]pyrrolidine

2-[(4-methylphenyl)methyl]pyrrolidine (PubChem CID 3510571) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]pyrrolidine
PubChem CID3510571
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-[(4-methylphenyl)methyl]pyrrolidine
SMILESCc1ccc(CC2CCCN2)cc1
InChIInChI=1S/C12H17N/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h4-7,12-13H,2-3,8-9H2,1H3
InChIKeyGEWCVCGRSMUACB-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117296650
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(4-methylphenyl)methyl]pyrrolidine (CID 3510571) is 2-[(4-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]pyrrolidine is Cc1ccc(CC2CCCN2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]pyrrolidine?
The InChIKey is GEWCVCGRSMUACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h4-7,12-13H,2-3,8-9H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]pyrrolidine?
2-[(4-methylphenyl)methyl]pyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 3510571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).