5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol

C15H18N2O — CID 79042446

IUPAC5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol
SMILESCc1ccc(C(C)Nc2cccnc2C)c(O)c1
InChIInChI=1S/C15H18N2O/c1-10-6-7-13(15(18)9-10)11(2)17-14-5-4-8-16-12(14)3/h4-9,11,17-18H,1-3H3
InChIKeyPJPNTEBGCLYKDC-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.58
Rot. Bonds3

About 5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol

5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol (PubChem CID 79042446) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol
PubChem CID79042446
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol
SMILESCc1ccc(C(C)Nc2cccnc2C)c(O)c1
InChIInChI=1S/C15H18N2O/c1-10-6-7-13(15(18)9-10)11(2)17-14-5-4-8-16-12(14)3/h4-9,11,17-18H,1-3H3
InChIKeyPJPNTEBGCLYKDC-UHFFFAOYSA-N
XLogP3.58
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol 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-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978
2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol
CID 43707996
2-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]pyridin-3-amine
CID 79041619
2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol
CID 43114127
2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol
CID 102848911
5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 55204616
2-[1-(2,4-dibromoanilino)ethyl]-5-methylphenol
CID 43682995
3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707870
5-methyl-2-[1-(2-methyl-3-nitroanilino)ethyl]phenol
CID 43719554
2-[1-(2,5-dimethylanilino)ethyl]phenol
CID 43196548
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methylphenol
CID 43168129
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]-4-methylbenzonitrile
CID 62104639

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol (CID 79042446) is 5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol is Cc1ccc(C(C)Nc2cccnc2C)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol?
The InChIKey is PJPNTEBGCLYKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-6-7-13(15(18)9-10)11(2)17-14-5-4-8-16-12(14)3/h4-9,11,17-18H,1-3H3.
What are the key properties of 5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol?
5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol has a molecular weight of 242.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol is sourced from PubChem (CID 79042446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).