2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol

C17H22N2O2 — CID 43499835

IUPAC2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol
SMILESCOc1c(C)cnc(CNCC(O)c2ccccc2)c1C
InChIInChI=1S/C17H22N2O2/c1-12-9-19-15(13(2)17(12)21-3)10-18-11-16(20)14-7-5-4-6-8-14/h4-9,16,18,20H,10-11H2,1-3H3
InChIKeyPKILJBVANDQUKF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds6

About 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol (PubChem CID 43499835) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol
PubChem CID43499835
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol
SMILESCOc1c(C)cnc(CNCC(O)c2ccccc2)c1C
InChIInChI=1S/C17H22N2O2/c1-12-9-19-15(13(2)17(12)21-3)10-18-11-16(20)14-7-5-4-6-8-14/h4-9,16,18,20H,10-11H2,1-3H3
InChIKeyPKILJBVANDQUKF-UHFFFAOYSA-N
XLogP2.53
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol 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

4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine
CID 66089924
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butanoic acid
CID 43473380
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine
CID 63011439
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol
CID 62606511
(1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 81352653
benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane
CID 143729119
2-(3-bromo-2-methyl-3-phenylpropyl)-4-methoxy-3,5-dimethylpyridine
CID 104846487
1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 62607399
1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17295818
1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 28581727
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111172215
1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 63085403

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol (CID 43499835) is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol is COc1c(C)cnc(CNCC(O)c2ccccc2)c1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol?
The InChIKey is PKILJBVANDQUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-9-19-15(13(2)17(12)21-3)10-18-11-16(20)14-7-5-4-6-8-14/h4-9,16,18,20H,10-11H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol?
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol has a molecular weight of 286.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 43499835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).