[1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride

C13H21ClN2 — CID 3072430

IUPAC[1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc(N2CCCC2CN)cc1C.Cl
InChIInChI=1S/C13H20N2.ClH/c1-10-5-6-12(8-11(10)2)15-7-3-4-13(15)9-14;/h5-6,8,13H,3-4,7,9,14H2,1-2H3;1H
InChIKeyVAIPMQXMEUNUDZ-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.65
Rot. Bonds2

About [1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride

[1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 3072430) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID3072430
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name[1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc(N2CCCC2CN)cc1C.Cl
InChIInChI=1S/C13H20N2.ClH/c1-10-5-6-12(8-11(10)2)15-7-3-4-13(15)9-14;/h5-6,8,13H,3-4,7,9,14H2,1-2H3;1H
InChIKeyVAIPMQXMEUNUDZ-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.65
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-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride (CID 3072430) is [1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride is Cc1ccc(N2CCCC2CN)cc1C.Cl.
What is the InChIKey of [1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is VAIPMQXMEUNUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.ClH/c1-10-5-6-12(8-11(10)2)15-7-3-4-13(15)9-14;/h5-6,8,13H,3-4,7,9,14H2,1-2H3;1H.
What are the key properties of [1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride?
[1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 240.78 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 3072430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).