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

C11H16Cl2N2 — CID 3072389

IUPAC[1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2.ClH/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;1H
InChIKeyVPKVSIKWNXCCHX-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.69
Rot. Bonds2

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

[1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 3072389) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID3072389
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name[1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2.ClH/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;1H
InChIKeyVPKVSIKWNXCCHX-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.69
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;hydrochloride?
The IUPAC name of [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride (CID 3072389) is [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is VPKVSIKWNXCCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2.ClH/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;1H.
What are the key properties of [1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
[1-(3-chlorophenyl)pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 247.17 g/mol, XLogP of 2.69, 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;hydrochloride is sourced from PubChem (CID 3072389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).