2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine

C17H28N2 — CID 79189168

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)C(C(N)c1ccccc1)N1CC(C)C(C)C1
InChIInChI=1S/C17H28N2/c1-12(2)17(19-10-13(3)14(4)11-19)16(18)15-8-6-5-7-9-15/h5-9,12-14,16-17H,10-11,18H2,1-4H3
InChIKeyWIFMOZXQRMGLTA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.30
Rot. Bonds4

About 2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine

2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine (PubChem CID 79189168) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine
PubChem CID79189168
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)C(C(N)c1ccccc1)N1CC(C)C(C)C1
InChIInChI=1S/C17H28N2/c1-12(2)17(19-10-13(3)14(4)11-19)16(18)15-8-6-5-7-9-15/h5-9,12-14,16-17H,10-11,18H2,1-4H3
InChIKeyWIFMOZXQRMGLTA-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 62987642
2-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 16781161
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine
CID 113335651
N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine
CID 79183761
1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 79188749
2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine
CID 61226976
3-methyl-2-(2-methylimidazol-1-yl)-1-phenylbutan-1-amine
CID 16784760
2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine
CID 43613063
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495028
2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
CID 16786190
3-methyl-1-(1-phenylpropyl)piperidin-4-amine
CID 55058050
2,6-dimethyl-1-phenylheptan-1-amine
CID 104845216

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine (CID 79189168) is 2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine is CC(C)C(C(N)c1ccccc1)N1CC(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine?
The InChIKey is WIFMOZXQRMGLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)17(19-10-13(3)14(4)11-19)16(18)15-8-6-5-7-9-15/h5-9,12-14,16-17H,10-11,18H2,1-4H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine?
2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 79189168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).