5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol

C18H30N2O — CID 83219375

IUPAC5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N2C(C)CCC2CC)cc1O
InChIInChI=1S/C18H30N2O/c1-5-11-19-14(4)17-10-9-16(12-18(17)21)20-13(3)7-8-15(20)6-2/h9-10,12-15,19,21H,5-8,11H2,1-4H3
InChIKeyJEGVMWBLSFSBAY-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.22
Rot. Bonds6

About 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol

5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol (PubChem CID 83219375) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol
PubChem CID83219375
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N2C(C)CCC2CC)cc1O
InChIInChI=1S/C18H30N2O/c1-5-11-19-14(4)17-10-9-16(12-18(17)21)20-13(3)7-8-15(20)6-2/h9-10,12-15,19,21H,5-8,11H2,1-4H3
InChIKeyJEGVMWBLSFSBAY-UHFFFAOYSA-N
XLogP4.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 79591482
N-[1-[4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethyl]propan-1-amine
CID 83220102
5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol
CID 79600240
1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol
CID 83220393
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-[1-(propylamino)ethyl]phenol
CID 79591202
5-(4-methyl-1,4-diazepan-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 79590219
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 106314690
N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 83221091
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
(1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 83220342
5-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propylpyridin-3-amine
CID 104535710

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol?
The IUPAC name of 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol (CID 83219375) is 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol.
What is the SMILES notation for 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol?
The canonical SMILES for 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol is CCCNC(C)c1ccc(N2C(C)CCC2CC)cc1O.
What is the InChIKey of 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol?
The InChIKey is JEGVMWBLSFSBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-11-19-14(4)17-10-9-16(12-18(17)21)20-13(3)7-8-15(20)6-2/h9-10,12-15,19,21H,5-8,11H2,1-4H3.
What are the key properties of 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol?
5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol is sourced from PubChem (CID 83219375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).