[1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine

C11H15ClN2 — CID 17389982

IUPAC[1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ccccc2Cl)C1
InChIInChI=1S/C11H15ClN2/c12-10-3-1-2-4-11(10)14-6-5-9(7-13)8-14/h1-4,9H,5-8,13H2
InChIKeyZLOIUMRCHZQPDB-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.12
Rot. Bonds2

About [1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine

[1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine (PubChem CID 17389982) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is [1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine
PubChem CID17389982
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name[1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ccccc2Cl)C1
InChIInChI=1S/C11H15ClN2/c12-10-3-1-2-4-11(10)14-6-5-9(7-13)8-14/h1-4,9H,5-8,13H2
InChIKeyZLOIUMRCHZQPDB-UHFFFAOYSA-N
XLogP2.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine (CID 17389982) is [1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2ccccc2Cl)C1.
What is the InChIKey of [1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is ZLOIUMRCHZQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-10-3-1-2-4-11(10)14-6-5-9(7-13)8-14/h1-4,9H,5-8,13H2.
What are the key properties of [1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine?
[1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 210.71 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 17389982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).