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

C16H20N2O — CID 55204616

IUPAC5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
SMILESCc1ccc(C(C)NCc2ncccc2C)c(O)c1
InChIInChI=1S/C16H20N2O/c1-11-6-7-14(16(19)9-11)13(3)18-10-15-12(2)5-4-8-17-15/h4-9,13,18-19H,10H2,1-3H3
InChIKeyKTTHGOZUZIQGLI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.25
Rot. Bonds4

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

5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol (PubChem CID 55204616) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
PubChem CID55204616
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
SMILESCc1ccc(C(C)NCc2ncccc2C)c(O)c1
InChIInChI=1S/C16H20N2O/c1-11-6-7-14(16(19)9-11)13(3)18-10-15-12(2)5-4-8-17-15/h4-9,13,18-19H,10H2,1-3H3
InChIKeyKTTHGOZUZIQGLI-UHFFFAOYSA-N
XLogP3.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63306023
4-methoxy-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63305945
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107706544
2-[1-[(2-hydroxyphenyl)methylamino]ethyl]-5-methylphenol
CID 104582169
1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305698
5-methyl-2-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
CID 61285275
5-methyl-2-[1-(1,2-oxazol-5-ylmethylamino)ethyl]phenol
CID 106415696
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol
CID 79042446
2-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-5-methylphenol
CID 104582327
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol (CID 55204616) is 5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol is Cc1ccc(C(C)NCc2ncccc2C)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol?
The InChIKey is KTTHGOZUZIQGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-6-7-14(16(19)9-11)13(3)18-10-15-12(2)5-4-8-17-15/h4-9,13,18-19H,10H2,1-3H3.
What are the key properties of 5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol?
5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol has a molecular weight of 256.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol is sourced from PubChem (CID 55204616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).