[2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol

C17H21FN2O — CID 62984852

IUPAC[2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N(C)C(C)c2ccccc2F)n1
InChIInChI=1S/C17H21FN2O/c1-11-9-12(2)19-17(15(11)10-21)20(4)13(3)14-7-5-6-8-16(14)18/h5-9,13,21H,10H2,1-4H3
InChIKeyCYQVGUOOBAJKDN-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.53
Rot. Bonds4

About [2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol

[2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol (PubChem CID 62984852) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is [2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
PubChem CID62984852
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name[2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N(C)C(C)c2ccccc2F)n1
InChIInChI=1S/C17H21FN2O/c1-11-9-12(2)19-17(15(11)10-21)20(4)13(3)14-7-5-6-8-16(14)18/h5-9,13,21H,10H2,1-4H3
InChIKeyCYQVGUOOBAJKDN-UHFFFAOYSA-N
XLogP3.53
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol?
The IUPAC name of [2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol (CID 62984852) is [2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol?
The canonical SMILES for [2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol is Cc1cc(C)c(CO)c(N(C)C(C)c2ccccc2F)n1.
What is the InChIKey of [2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol?
The InChIKey is CYQVGUOOBAJKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-11-9-12(2)19-17(15(11)10-21)20(4)13(3)14-7-5-6-8-16(14)18/h5-9,13,21H,10H2,1-4H3.
What are the key properties of [2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol?
[2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol has a molecular weight of 288.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol is sourced from PubChem (CID 62984852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).