2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol

C17H22N2O — CID 71988626

IUPAC2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol
SMILESCCN(Cc1cccnc1)CC(O)c1ccc(C)cc1
InChIInChI=1S/C17H22N2O/c1-3-19(12-15-5-4-10-18-11-15)13-17(20)16-8-6-14(2)7-9-16/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeyKJKONMDQDZUKQY-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.95
Rot. Bonds6

About 2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol

2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol (PubChem CID 71988626) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol
PubChem CID71988626
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol
SMILESCCN(Cc1cccnc1)CC(O)c1ccc(C)cc1
InChIInChI=1S/C17H22N2O/c1-3-19(12-15-5-4-10-18-11-15)13-17(20)16-8-6-14(2)7-9-16/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeyKJKONMDQDZUKQY-UHFFFAOYSA-N
XLogP2.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride
CID 120901014
(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
CID 92856160
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
2-[benzyl(ethyl)amino]-1-(4-imidazol-1-ylphenyl)ethanol;phosphoric acid
CID 14555662
2-(dibutylamino)-1-pyridin-3-ylethanol
CID 82216499
2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol
CID 71922947
N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521704
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol (CID 71988626) is 2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol is CCN(Cc1cccnc1)CC(O)c1ccc(C)cc1.
What is the InChIKey of 2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol?
The InChIKey is KJKONMDQDZUKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-19(12-15-5-4-10-18-11-15)13-17(20)16-8-6-14(2)7-9-16/h4-11,17,20H,3,12-13H2,1-2H3.
What are the key properties of 2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol?
2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol has a molecular weight of 270.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 71988626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).