2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine

C15H21N — CID 66744006

IUPAC2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine
SMILESC=C(C)c1cc(CC2CCCN2)ccc1C
InChIInChI=1S/C15H21N/c1-11(2)15-10-13(7-6-12(15)3)9-14-5-4-8-16-14/h6-7,10,14,16H,1,4-5,8-9H2,2-3H3
InChIKeyHJRUOKPDRALFNE-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.32
Rot. Bonds3

About 2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine

2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine (PubChem CID 66744006) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine
PubChem CID66744006
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine
SMILESC=C(C)c1cc(CC2CCCN2)ccc1C
InChIInChI=1S/C15H21N/c1-11(2)15-10-13(7-6-12(15)3)9-14-5-4-8-16-14/h6-7,10,14,16H,1,4-5,8-9H2,2-3H3
InChIKeyHJRUOKPDRALFNE-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
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2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
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N-ethyl-3-[2-methyl-5-(pyrrolidin-2-ylmethyl)phenyl]propan-1-amine
CID 167228149
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422361
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
6-(pyrrolidin-2-ylmethyl)-1H-indole
CID 10198107

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine (CID 66744006) is 2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine is C=C(C)c1cc(CC2CCCN2)ccc1C.
What is the InChIKey of 2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine?
The InChIKey is HJRUOKPDRALFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11(2)15-10-13(7-6-12(15)3)9-14-5-4-8-16-14/h6-7,10,14,16H,1,4-5,8-9H2,2-3H3.
What are the key properties of 2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine?
2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-prop-1-en-2-ylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 66744006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).