2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine

C12H17ClN2 — CID 25248409

IUPAC2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine
SMILESNCCN1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2/c13-11-5-3-10(4-6-11)12-2-1-8-15(12)9-7-14/h3-6,12H,1-2,7-9,14H2
InChIKeyYVAKHIJWMQLKHA-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.44
Rot. Bonds3

About 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine

2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine (PubChem CID 25248409) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine
PubChem CID25248409
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine
SMILESNCCN1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2/c13-11-5-3-10(4-6-11)12-2-1-8-15(12)9-7-14/h3-6,12H,1-2,7-9,14H2
InChIKeyYVAKHIJWMQLKHA-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine (CID 25248409) is 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine is NCCN1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is YVAKHIJWMQLKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-11-5-3-10(4-6-11)12-2-1-8-15(12)9-7-14/h3-6,12H,1-2,7-9,14H2.
What are the key properties of 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine?
2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 224.73 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 25248409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).