2-[(4-propan-2-ylphenyl)methyl]pyrrolidine

C14H21N — CID 14921538

IUPAC2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCC(C)c1ccc(CC2CCCN2)cc1
InChIInChI=1S/C14H21N/c1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyDURLLMGSNBENOX-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.10
Rot. Bonds3

About 2-[(4-propan-2-ylphenyl)methyl]pyrrolidine

2-[(4-propan-2-ylphenyl)methyl]pyrrolidine (PubChem CID 14921538) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
PubChem CID14921538
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCC(C)c1ccc(CC2CCCN2)cc1
InChIInChI=1S/C14H21N/c1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyDURLLMGSNBENOX-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-propan-2-ylphenyl)methyl]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

1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
CID 106778627
2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine
CID 117377105
5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
CID 81319258
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 82499085
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
CID 117342823
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045
2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117296650

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]pyrrolidine (CID 14921538) is 2-[(4-propan-2-ylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methyl]pyrrolidine is CC(C)c1ccc(CC2CCCN2)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The InChIKey is DURLLMGSNBENOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 14921538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).