2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol

C21H28N2O — CID 110011057

IUPAC2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol
SMILESOCCC1(CNC(c2ccccc2)c2ccncc2)CCCCC1
InChIInChI=1S/C21H28N2O/c24-16-13-21(11-5-2-6-12-21)17-23-20(18-7-3-1-4-8-18)19-9-14-22-15-10-19/h1,3-4,7-10,14-15,20,23-24H,2,5-6,11-13,16-17H2
InChIKeyMFTNUBPAHAWQDK-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.09
Rot. Bonds7

About 2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol

2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol (PubChem CID 110011057) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol
PubChem CID110011057
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol
SMILESOCCC1(CNC(c2ccccc2)c2ccncc2)CCCCC1
InChIInChI=1S/C21H28N2O/c24-16-13-21(11-5-2-6-12-21)17-23-20(18-7-3-1-4-8-18)19-9-14-22-15-10-19/h1,3-4,7-10,14-15,20,23-24H,2,5-6,11-13,16-17H2
InChIKeyMFTNUBPAHAWQDK-UHFFFAOYSA-N
XLogP4.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol?
The IUPAC name of 2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol (CID 110011057) is 2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol?
The canonical SMILES for 2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol is OCCC1(CNC(c2ccccc2)c2ccncc2)CCCCC1.
What is the InChIKey of 2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol?
The InChIKey is MFTNUBPAHAWQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c24-16-13-21(11-5-2-6-12-21)17-23-20(18-7-3-1-4-8-18)19-9-14-22-15-10-19/h1,3-4,7-10,14-15,20,23-24H,2,5-6,11-13,16-17H2.
What are the key properties of 2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol?
2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol has a molecular weight of 324.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]cyclohexyl]ethanol is sourced from PubChem (CID 110011057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).