[6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol

C16H18ClFN2O — CID 67323475

IUPAC[6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol
SMILESCCN(Cc1ccc(CO)cn1)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFN2O/c1-2-20(9-13-7-6-12(11-21)8-19-13)10-14-15(17)4-3-5-16(14)18/h3-8,21H,2,9-11H2,1H3
InChIKeyMLFPUSJQUNOONX-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.39
Rot. Bonds6

About [6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol

[6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol (PubChem CID 67323475) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is [6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol
PubChem CID67323475
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name[6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol
SMILESCCN(Cc1ccc(CO)cn1)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFN2O/c1-2-20(9-13-7-6-12(11-21)8-19-13)10-14-15(17)4-3-5-16(14)18/h3-8,21H,2,9-11H2,1H3
InChIKeyMLFPUSJQUNOONX-UHFFFAOYSA-N
XLogP3.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol?
The IUPAC name of [6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol (CID 67323475) is [6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol is CCN(Cc1ccc(CO)cn1)Cc1c(F)cccc1Cl.
What is the InChIKey of [6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol?
The InChIKey is MLFPUSJQUNOONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-2-20(9-13-7-6-12(11-21)8-19-13)10-14-15(17)4-3-5-16(14)18/h3-8,21H,2,9-11H2,1H3.
What are the key properties of [6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol?
[6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol has a molecular weight of 308.78 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(2-chloro-6-fluorophenyl)methyl-ethylamino]methyl]-3-pyridinyl]methanol is sourced from PubChem (CID 67323475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).