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

C17H26N2O2 — CID 114410444

IUPAC2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol
SMILESCCNC(C)c1ccc(N2CC=C(COC)CC2)cc1O
InChIInChI=1S/C17H26N2O2/c1-4-18-13(2)16-6-5-15(11-17(16)20)19-9-7-14(8-10-19)12-21-3/h5-7,11,13,18,20H,4,8-10,12H2,1-3H3
InChIKeyUXIZPHWLQRSXIT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.85
Rot. Bonds6

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

2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol (PubChem CID 114410444) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol
PubChem CID114410444
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol
SMILESCCNC(C)c1ccc(N2CC=C(COC)CC2)cc1O
InChIInChI=1S/C17H26N2O2/c1-4-18-13(2)16-6-5-15(11-17(16)20)19-9-7-14(8-10-19)12-21-3/h5-7,11,13,18,20H,4,8-10,12H2,1-3H3
InChIKeyUXIZPHWLQRSXIT-UHFFFAOYSA-N
XLogP2.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine
CID 114410466
2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol
CID 79590215
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
5-(2,6-dimethylmorpholin-4-yl)-2-[1-(ethylamino)ethyl]phenol
CID 79600773
1-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]-4-methylazepan-4-ol
CID 107404966
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol
CID 81204822
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 106314690
1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-methylethanamine
CID 114410467
2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol
CID 79600243
2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
CID 102883981

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol?
The IUPAC name of 2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol (CID 114410444) is 2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol is CCNC(C)c1ccc(N2CC=C(COC)CC2)cc1O.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol?
The InChIKey is UXIZPHWLQRSXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-18-13(2)16-6-5-15(11-17(16)20)19-9-7-14(8-10-19)12-21-3/h5-7,11,13,18,20H,4,8-10,12H2,1-3H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol?
2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol has a molecular weight of 290.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol is sourced from PubChem (CID 114410444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).