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

C11H15ClN2 — CID 3072390

IUPAC[1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2/c12-9-3-1-4-10(7-9)14-6-2-5-11(14)8-13/h1,3-4,7,11H,2,5-6,8,13H2
InChIKeyVXCGHCCRFNHJRX-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.27
Rot. Bonds2

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

[1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine (PubChem CID 3072390) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine
PubChem CID3072390
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name[1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2/c12-9-3-1-4-10(7-9)14-6-2-5-11(14)8-13/h1,3-4,7,11H,2,5-6,8,13H2
InChIKeyVXCGHCCRFNHJRX-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine (CID 3072390) is [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine is NCC1CCCN1c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine?
The InChIKey is VXCGHCCRFNHJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-9-3-1-4-10(7-9)14-6-2-5-11(14)8-13/h1,3-4,7,11H,2,5-6,8,13H2.
What are the key properties of [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine?
[1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine has a molecular weight of 210.71 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 3072390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).