5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol

C17H26N2O — CID 106314690

IUPAC5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N2CCC=C(C)C2)cc1O
InChIInChI=1S/C17H26N2O/c1-4-9-18-14(3)16-8-7-15(11-17(16)20)19-10-5-6-13(2)12-19/h6-8,11,14,18,20H,4-5,9-10,12H2,1-3H3
InChIKeyPYVQDKBZKVGDOZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.61
Rot. Bonds5

About 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol

5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol (PubChem CID 106314690) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol
PubChem CID106314690
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N2CCC=C(C)C2)cc1O
InChIInChI=1S/C17H26N2O/c1-4-9-18-14(3)16-8-7-15(11-17(16)20)19-10-5-6-13(2)12-19/h6-8,11,14,18,20H,4-5,9-10,12H2,1-3H3
InChIKeyPYVQDKBZKVGDOZ-UHFFFAOYSA-N
XLogP3.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.61
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine
CID 106314747
5-(4-methyl-1,4-diazepan-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 79590219
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-[1-(propylamino)ethyl]phenol
CID 79591202
5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol
CID 79600240
1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine
CID 106314771
2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol
CID 79590215
5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 79591482
5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 83219375
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone
CID 79590209
2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol
CID 114410350

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol?
The IUPAC name of 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol (CID 106314690) is 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol.
What is the SMILES notation for 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol?
The canonical SMILES for 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol is CCCNC(C)c1ccc(N2CCC=C(C)C2)cc1O.
What is the InChIKey of 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol?
The InChIKey is PYVQDKBZKVGDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-9-18-14(3)16-8-7-15(11-17(16)20)19-10-5-6-13(2)12-19/h6-8,11,14,18,20H,4-5,9-10,12H2,1-3H3.
What are the key properties of 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol?
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol has a molecular weight of 274.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol is sourced from PubChem (CID 106314690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).