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

C21H22N2O — CID 110010234

IUPAC1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol
SMILESCc1ccc(C(O)CNC(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C21H22N2O/c1-16-7-9-17(10-8-16)20(24)15-23-21(18-5-3-2-4-6-18)19-11-13-22-14-12-19/h2-14,20-21,23-24H,15H2,1H3
InChIKeyMKKZHXDLTBIYHC-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.80
Rot. Bonds6

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

1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol (PubChem CID 110010234) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol
PubChem CID110010234
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol
SMILESCc1ccc(C(O)CNC(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C21H22N2O/c1-16-7-9-17(10-8-16)20(24)15-23-21(18-5-3-2-4-6-18)19-11-13-22-14-12-19/h2-14,20-21,23-24H,15H2,1H3
InChIKeyMKKZHXDLTBIYHC-UHFFFAOYSA-N
XLogP3.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 43608190
(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 113357070
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 63930265
(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol
CID 97158238
4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
CID 762865
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
2-methylsulfinyl-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 115974879
(1R)-2-[[(S)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258708
(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258709
(4-methylphenyl)-pyridin-4-ylmethanol
CID 3383504

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol (CID 110010234) is 1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol is Cc1ccc(C(O)CNC(c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol?
The InChIKey is MKKZHXDLTBIYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-16-7-9-17(10-8-16)20(24)15-23-21(18-5-3-2-4-6-18)19-11-13-22-14-12-19/h2-14,20-21,23-24H,15H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol?
1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol has a molecular weight of 318.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 110010234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).