3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine

C15H24N2 — CID 117047478

IUPAC3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine
SMILESCC(N)C(C)(C)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-12(16)15(2,3)13-6-8-14(9-7-13)17-10-4-5-11-17/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyACCRLJQPIBDQOX-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.91
Rot. Bonds3

About 3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine

3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine (PubChem CID 117047478) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine
PubChem CID117047478
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine
SMILESCC(N)C(C)(C)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-12(16)15(2,3)13-6-8-14(9-7-13)17-10-4-5-11-17/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyACCRLJQPIBDQOX-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine
CID 28807053
N-methyl-2-(4-piperidin-1-ylphenyl)propan-2-amine
CID 170240891
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
(1S,2R)-1-amino-3-methyl-1-(4-pyrrolidin-1-ylphenyl)butan-2-ol
CID 171272024
(3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride
CID 171252027
2-(4-pyrrolidin-1-ylphenyl)propanenitrile
CID 117047484
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane
CID 145175028
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1,1-dideuterio-2-(4-piperidin-1-ylphenyl)propan-1-amine;hydrate;dihydrochloride
CID 21153102
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine?
The IUPAC name of 3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine (CID 117047478) is 3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine.
What is the SMILES notation for 3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine?
The canonical SMILES for 3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine is CC(N)C(C)(C)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine?
The InChIKey is ACCRLJQPIBDQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(16)15(2,3)13-6-8-14(9-7-13)17-10-4-5-11-17/h6-9,12H,4-5,10-11,16H2,1-3H3.
What are the key properties of 3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine?
3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-pyrrolidin-1-ylphenyl)butan-2-amine is sourced from PubChem (CID 117047478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).