[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol

C15H18N2O2 — CID 55134024

IUPAC[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
SMILESCOc1ccc(CN(C)c2ncccc2CO)cc1
InChIInChI=1S/C15H18N2O2/c1-17(15-13(11-18)4-3-9-16-15)10-12-5-7-14(19-2)8-6-12/h3-9,18H,10-11H2,1-2H3
InChIKeyOHDCDHDZRQZGPR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.22
Rot. Bonds5

About [2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol

[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol (PubChem CID 55134024) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
PubChem CID55134024
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
SMILESCOc1ccc(CN(C)c2ncccc2CO)cc1
InChIInChI=1S/C15H18N2O2/c1-17(15-13(11-18)4-3-9-16-15)10-12-5-7-14(19-2)8-6-12/h3-9,18H,10-11H2,1-2H3
InChIKeyOHDCDHDZRQZGPR-UHFFFAOYSA-N
XLogP2.22
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol?
The IUPAC name of [2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol (CID 55134024) is [2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol is COc1ccc(CN(C)c2ncccc2CO)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol?
The InChIKey is OHDCDHDZRQZGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(15-13(11-18)4-3-9-16-15)10-12-5-7-14(19-2)8-6-12/h3-9,18H,10-11H2,1-2H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol?
[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol has a molecular weight of 258.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol is sourced from PubChem (CID 55134024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).