4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine

C15H24N2 — CID 116988351

IUPAC4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(C2CCN(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-12(16)3-4-13-5-7-14(8-6-13)15-9-10-17(2)11-15/h5-8,12,15H,3-4,9-11,16H2,1-2H3
InChIKeyGWGYYSOBRCHHSA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.39
Rot. Bonds4

About 4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine

4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine (PubChem CID 116988351) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
PubChem CID116988351
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(C2CCN(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-12(16)3-4-13-5-7-14(8-6-13)15-9-10-17(2)11-15/h5-8,12,15H,3-4,9-11,16H2,1-2H3
InChIKeyGWGYYSOBRCHHSA-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine (CID 116988351) is 4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine is CC(N)CCc1ccc(C2CCN(C)C2)cc1.
What is the InChIKey of 4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine?
The InChIKey is GWGYYSOBRCHHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(16)3-4-13-5-7-14(8-6-13)15-9-10-17(2)11-15/h5-8,12,15H,3-4,9-11,16H2,1-2H3.
What are the key properties of 4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine?
4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine is sourced from PubChem (CID 116988351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).