N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine

C19H32N2 — CID 83219322

IUPACN-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CN1C(C)CCC1CC)c1ccccc1C
InChIInChI=1S/C19H32N2/c1-5-13-20-19(18-10-8-7-9-15(18)3)14-21-16(4)11-12-17(21)6-2/h7-10,16-17,19-20H,5-6,11-14H2,1-4H3
InChIKeyACUMYAMSSYOSDD-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.30
Rot. Bonds7

About N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine

N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 83219322) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID83219322
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CN1C(C)CCC1CC)c1ccccc1C
InChIInChI=1S/C19H32N2/c1-5-13-20-19(18-10-8-7-9-15(18)3)14-21-16(4)11-12-17(21)6-2/h7-10,16-17,19-20H,5-6,11-14H2,1-4H3
InChIKeyACUMYAMSSYOSDD-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol
CID 83136214
3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 83221213
1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine
CID 83227091
3-[2-(2-methylphenyl)-2-(propylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835277
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537943
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 83219344
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 115415598
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 83228040
1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine
CID 83220497

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine (CID 83219322) is N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(CN1C(C)CCC1CC)c1ccccc1C.
What is the InChIKey of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is ACUMYAMSSYOSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-13-20-19(18-10-8-7-9-15(18)3)14-21-16(4)11-12-17(21)6-2/h7-10,16-17,19-20H,5-6,11-14H2,1-4H3.
What are the key properties of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine?
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 83219322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).