2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

C19H32N2 — CID 83219344

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCC1CCC(C)N1CC(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-18-12-7-15(4)21(18)13-19(20-5)17-10-8-16(9-11-17)14(2)3/h8-11,14-15,18-20H,6-7,12-13H2,1-5H3
InChIKeyVQRWWOIDQSLZOE-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.33
Rot. Bonds6

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 83219344) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID83219344
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCC1CCC(C)N1CC(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H32N2/c1-6-18-12-7-15(4)21(18)13-19(20-5)17-10-8-16(9-11-17)14(2)3/h8-11,14-15,18-20H,6-7,12-13H2,1-5H3
InChIKeyVQRWWOIDQSLZOE-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 83219356
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 83221696
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 83222009
1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine
CID 83227091
2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 63467078
(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine
CID 103934796
2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 58659507
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 83219322
3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropanenitrile
CID 83228008
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107521951
1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83227590
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
CID 83221740

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (CID 83219344) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine is CCC1CCC(C)N1CC(NC)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is VQRWWOIDQSLZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-18-12-7-15(4)21(18)13-19(20-5)17-10-8-16(9-11-17)14(2)3/h8-11,14-15,18-20H,6-7,12-13H2,1-5H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 83219344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).