[1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride

C12H19ClN2 — CID 3072379

IUPAC[1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc(N2CCCC2CN)cc1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-10-4-6-11(7-5-10)14-8-2-3-12(14)9-13;/h4-7,12H,2-3,8-9,13H2,1H3;1H
InChIKeyWYVVEUGMVQPOPZ-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.34
Rot. Bonds2

About [1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride

[1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 3072379) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is [1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID3072379
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name[1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc(N2CCCC2CN)cc1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-10-4-6-11(7-5-10)14-8-2-3-12(14)9-13;/h4-7,12H,2-3,8-9,13H2,1H3;1H
InChIKeyWYVVEUGMVQPOPZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride (CID 3072379) is [1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride is Cc1ccc(N2CCCC2CN)cc1.Cl.
What is the InChIKey of [1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is WYVVEUGMVQPOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.ClH/c1-10-4-6-11(7-5-10)14-8-2-3-12(14)9-13;/h4-7,12H,2-3,8-9,13H2,1H3;1H.
What are the key properties of [1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
[1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 226.75 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 3072379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).