2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine

C13H20N2 — CID 178108165

IUPAC2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
SMILESNCCc1ccc(CC2CCCN2)cc1
InChIInChI=1S/C13H20N2/c14-8-7-11-3-5-12(6-4-11)10-13-2-1-9-15-13/h3-6,13,15H,1-2,7-10,14H2
InChIKeyJYMZOOOHABFTEZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.48
Rot. Bonds4

About 2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine

2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine (PubChem CID 178108165) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
PubChem CID178108165
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
SMILESNCCc1ccc(CC2CCCN2)cc1
InChIInChI=1S/C13H20N2/c14-8-7-11-3-5-12(6-4-11)10-13-2-1-9-15-13/h3-6,13,15H,1-2,7-10,14H2
InChIKeyJYMZOOOHABFTEZ-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117296650
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol
CID 117118217
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
CID 84665550
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
CID 174595091
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine (CID 178108165) is 2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine is NCCc1ccc(CC2CCCN2)cc1.
What is the InChIKey of 2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine?
The InChIKey is JYMZOOOHABFTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-8-7-11-3-5-12(6-4-11)10-13-2-1-9-15-13/h3-6,13,15H,1-2,7-10,14H2.
What are the key properties of 2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine?
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine is sourced from PubChem (CID 178108165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).