[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol

C16H20N2O — CID 62134201

IUPAC[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol
SMILESCc1cc(N(C)CCc2ccncc2)ccc1CO
InChIInChI=1S/C16H20N2O/c1-13-11-16(4-3-15(13)12-19)18(2)10-7-14-5-8-17-9-6-14/h3-6,8-9,11,19H,7,10,12H2,1-2H3
InChIKeyZWYZSNQQBFVKKD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.56
Rot. Bonds5

About [2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol

[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol (PubChem CID 62134201) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol
PubChem CID62134201
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol
SMILESCc1cc(N(C)CCc2ccncc2)ccc1CO
InChIInChI=1S/C16H20N2O/c1-13-11-16(4-3-15(13)12-19)18(2)10-7-14-5-8-17-9-6-14/h3-6,8-9,11,19H,7,10,12H2,1-2H3
InChIKeyZWYZSNQQBFVKKD-UHFFFAOYSA-N
XLogP2.56
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol?
The IUPAC name of [2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol (CID 62134201) is [2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol.
What is the SMILES notation for [2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol?
The canonical SMILES for [2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol is Cc1cc(N(C)CCc2ccncc2)ccc1CO.
What is the InChIKey of [2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol?
The InChIKey is ZWYZSNQQBFVKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-11-16(4-3-15(13)12-19)18(2)10-7-14-5-8-17-9-6-14/h3-6,8-9,11,19H,7,10,12H2,1-2H3.
What are the key properties of [2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol?
[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol has a molecular weight of 256.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol is sourced from PubChem (CID 62134201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).