2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol

C15H22N2O — CID 114410350

IUPAC2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol
SMILESCNC(C)c1ccc(N2CC=C(C)CC2)cc1O
InChIInChI=1S/C15H22N2O/c1-11-6-8-17(9-7-11)13-4-5-14(12(2)16-3)15(18)10-13/h4-6,10,12,16,18H,7-9H2,1-3H3
InChIKeyLXTDFDOIPXEJKX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.83
Rot. Bonds3

About 2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol

2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol (PubChem CID 114410350) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol
PubChem CID114410350
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol
SMILESCNC(C)c1ccc(N2CC=C(C)CC2)cc1O
InChIInChI=1S/C15H22N2O/c1-11-6-8-17(9-7-11)13-4-5-14(12(2)16-3)15(18)10-13/h4-6,10,12,16,18H,7-9H2,1-3H3
InChIKeyLXTDFDOIPXEJKX-UHFFFAOYSA-N
XLogP2.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.83
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

2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103496849
5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 106836255
5-[4-(dimethylamino)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600608
5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600236
5-(4,4-diethylpiperidin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79591200
2-[1-(methylamino)ethyl]-5-(1,4-thiazepan-4-yl)phenol
CID 79603969
4-[3-hydroxy-4-[1-(methylamino)ethyl]phenyl]-1-methylpiperazin-2-one
CID 79603826
2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol
CID 114410444
5-(3-ethyl-4-methylpiperazin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79603649
1-[3-hydroxy-4-[1-(methylamino)ethyl]phenyl]-4-methylazepan-4-ol
CID 107405015
5-(4-ethylazepan-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79604082
2-[1-(methylamino)ethyl]-5-(4-propylazepan-1-yl)phenol
CID 79591465

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol?
The IUPAC name of 2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol (CID 114410350) is 2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol?
The canonical SMILES for 2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol is CNC(C)c1ccc(N2CC=C(C)CC2)cc1O.
What is the InChIKey of 2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol?
The InChIKey is LXTDFDOIPXEJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-8-17(9-7-11)13-4-5-14(12(2)16-3)15(18)10-13/h4-6,10,12,16,18H,7-9H2,1-3H3.
What are the key properties of 2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol?
2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol has a molecular weight of 246.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol is sourced from PubChem (CID 114410350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).