3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine

C17H28N2 — CID 83222009

IUPAC3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
SMILESCCC1CCC(C)N1CCC(NC)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-16-11-10-14(2)19(16)13-12-17(18-3)15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeySBSOUJKLPVVVJH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds6

About 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine

3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine (PubChem CID 83222009) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
PubChem CID83222009
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
SMILESCCC1CCC(C)N1CCC(NC)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-16-11-10-14(2)19(16)13-12-17(18-3)15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeySBSOUJKLPVVVJH-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 83221696
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 83219344
N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine
CID 83220381
1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine
CID 83220497
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 83219356
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 83221213
N-methyl-4-[3-[5-methyl-4-[1-[5-methyl-1-[3-(methylamino)-3-phenylpropyl]pyrrolidin-2-yl]propan-2-yl]-1,2,4-triazol-3-yl]cyclobutyl]oxyaniline
CID 176954064
1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol
CID 83221627
3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropanenitrile
CID 83228008
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 83227177
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine
CID 66372167

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine (CID 83222009) is 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine is CCC1CCC(C)N1CCC(NC)c1ccccc1.
What is the InChIKey of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine?
The InChIKey is SBSOUJKLPVVVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-16-11-10-14(2)19(16)13-12-17(18-3)15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3.
What are the key properties of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine?
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 83222009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).