2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol

C16H21N3O — CID 169413210

IUPAC2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol
SMILESCc1ccc(Nc2cccc(CN(C)CCO)c2)nc1
InChIInChI=1S/C16H21N3O/c1-13-6-7-16(17-11-13)18-15-5-3-4-14(10-15)12-19(2)8-9-20/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,17,18)
InChIKeyLHPQOWVUCHZJMD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds6

About 2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol

2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol (PubChem CID 169413210) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol
PubChem CID169413210
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol
SMILESCc1ccc(Nc2cccc(CN(C)CCO)c2)nc1
InChIInChI=1S/C16H21N3O/c1-13-6-7-16(17-11-13)18-15-5-3-4-14(10-15)12-19(2)8-9-20/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,17,18)
InChIKeyLHPQOWVUCHZJMD-UHFFFAOYSA-N
XLogP2.56
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol (CID 169413210) is 2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol is Cc1ccc(Nc2cccc(CN(C)CCO)c2)nc1.
What is the InChIKey of 2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol?
The InChIKey is LHPQOWVUCHZJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-6-7-16(17-11-13)18-15-5-3-4-14(10-15)12-19(2)8-9-20/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol?
2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol is sourced from PubChem (CID 169413210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).