1-(3-pyrrolidin-1-ylphenyl)ethanamine

C12H18N2 — CID 71695344

IUPAC1-(3-pyrrolidin-1-ylphenyl)ethanamine
SMILESCC(N)c1cccc(N2CCCC2)c1
InChIInChI=1S/C12H18N2/c1-10(13)11-5-4-6-12(9-11)14-7-2-3-8-14/h4-6,9-10H,2-3,7-8,13H2,1H3
InChIKeyAISTVZGIGYAOLQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.31
Rot. Bonds2

About 1-(3-pyrrolidin-1-ylphenyl)ethanamine

1-(3-pyrrolidin-1-ylphenyl)ethanamine (PubChem CID 71695344) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylphenyl)ethanamine
PubChem CID71695344
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(3-pyrrolidin-1-ylphenyl)ethanamine
SMILESCC(N)c1cccc(N2CCCC2)c1
InChIInChI=1S/C12H18N2/c1-10(13)11-5-4-6-12(9-11)14-7-2-3-8-14/h4-6,9-10H,2-3,7-8,13H2,1H3
InChIKeyAISTVZGIGYAOLQ-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylphenyl)ethanamine?
The IUPAC name of 1-(3-pyrrolidin-1-ylphenyl)ethanamine (CID 71695344) is 1-(3-pyrrolidin-1-ylphenyl)ethanamine.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylphenyl)ethanamine?
The canonical SMILES for 1-(3-pyrrolidin-1-ylphenyl)ethanamine is CC(N)c1cccc(N2CCCC2)c1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylphenyl)ethanamine?
The InChIKey is AISTVZGIGYAOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(13)11-5-4-6-12(9-11)14-7-2-3-8-14/h4-6,9-10H,2-3,7-8,13H2,1H3.
What are the key properties of 1-(3-pyrrolidin-1-ylphenyl)ethanamine?
1-(3-pyrrolidin-1-ylphenyl)ethanamine has a molecular weight of 190.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylphenyl)ethanamine is sourced from PubChem (CID 71695344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).