1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride

C15H24ClN — CID 3057981

IUPAC1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride
SMILESCCCC(c1ccc(C)cc1)N1CCCC1.Cl
InChIInChI=1S/C15H23N.ClH/c1-3-6-15(16-11-4-5-12-16)14-9-7-13(2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H
InChIKeyAYJZLDSQPWDSFK-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.35
Rot. Bonds4

About 1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride

1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride (PubChem CID 3057981) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride
PubChem CID3057981
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride
SMILESCCCC(c1ccc(C)cc1)N1CCCC1.Cl
InChIInChI=1S/C15H23N.ClH/c1-3-6-15(16-11-4-5-12-16)14-9-7-13(2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H
InChIKeyAYJZLDSQPWDSFK-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride (CID 3057981) is 1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride is CCCC(c1ccc(C)cc1)N1CCCC1.Cl.
What is the InChIKey of 1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride?
The InChIKey is AYJZLDSQPWDSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.ClH/c1-3-6-15(16-11-4-5-12-16)14-9-7-13(2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H.
What are the key properties of 1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride?
1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride has a molecular weight of 253.82 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)butyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 3057981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).