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

C20H20N2O — CID 110902658

IUPAC2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol
SMILESOCCc1ccc(NC(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C20H20N2O/c23-15-12-16-6-8-19(9-7-16)22-20(17-4-2-1-3-5-17)18-10-13-21-14-11-18/h1-11,13-14,20,22-23H,12,15H2
InChIKeyTUROMYQERFMLOB-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.82
Rot. Bonds6

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

2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol (PubChem CID 110902658) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol
PubChem CID110902658
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol
SMILESOCCc1ccc(NC(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C20H20N2O/c23-15-12-16-6-8-19(9-7-16)22-20(17-4-2-1-3-5-17)18-10-13-21-14-11-18/h1-11,13-14,20,22-23H,12,15H2
InChIKeyTUROMYQERFMLOB-UHFFFAOYSA-N
XLogP3.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
CID 762865
4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride
CID 44657868
N-benzhydryl-4-ethylaniline
CID 175202309
3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline
CID 43608159
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870
2-[4-(pyridin-4-ylmethyl)phenyl]ethanol
CID 91121201
(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
CID 114982552
N-[(R)-phenyl(pyridin-4-yl)methyl]-3-(1,2,4-triazol-4-ylmethyl)aniline
CID 99777050
2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60521938
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351
3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 60592502

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol (CID 110902658) is 2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol is OCCc1ccc(NC(c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of 2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol?
The InChIKey is TUROMYQERFMLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-15-12-16-6-8-19(9-7-16)22-20(17-4-2-1-3-5-17)18-10-13-21-14-11-18/h1-11,13-14,20,22-23H,12,15H2.
What are the key properties of 2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol?
2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol has a molecular weight of 304.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 110902658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).