ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine

C16H27N — CID 143114244

IUPACethane;1-[2-(2-methylphenyl)propyl]pyrrolidine
SMILESCC.Cc1ccccc1C(C)CN1CCCC1
InChIInChI=1S/C14H21N.C2H6/c1-12-7-3-4-8-14(12)13(2)11-15-9-5-6-10-15;1-2/h3-4,7-8,13H,5-6,9-11H2,1-2H3;1-2H3
InChIKeyPUVOWKGEEFRLCU-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.22
Rot. Bonds3

About ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine

ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine (PubChem CID 143114244) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine.

Molecular Properties

Compound Nameethane;1-[2-(2-methylphenyl)propyl]pyrrolidine
PubChem CID143114244
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Nameethane;1-[2-(2-methylphenyl)propyl]pyrrolidine
SMILESCC.Cc1ccccc1C(C)CN1CCCC1
InChIInChI=1S/C14H21N.C2H6/c1-12-7-3-4-8-14(12)13(2)11-15-9-5-6-10-15;1-2/h3-4,7-8,13H,5-6,9-11H2,1-2H3;1-2H3
InChIKeyPUVOWKGEEFRLCU-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-[2-(2-methylphenyl)propyl]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-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
3-(azepan-1-yl)-2-(2-methylphenyl)propanoic acid
CID 117244237
3-(2-methylphenyl)-1-piperidin-1-ylbutan-1-one
CID 71930972
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 55249395
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol
CID 115040340
N-[2-(1-piperidin-1-ylpropan-2-yl)phenyl]benzamide
CID 66720488
1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane
CID 82086944
2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine?
The IUPAC name of ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine (CID 143114244) is ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine.
What is the SMILES notation for ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine?
The canonical SMILES for ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine is CC.Cc1ccccc1C(C)CN1CCCC1.
What is the InChIKey of ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine?
The InChIKey is PUVOWKGEEFRLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C2H6/c1-12-7-3-4-8-14(12)13(2)11-15-9-5-6-10-15;1-2/h3-4,7-8,13H,5-6,9-11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine?
ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine has a molecular weight of 233.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine is sourced from PubChem (CID 143114244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).