2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol

C23H23N3O2 — CID 4086151

IUPAC2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol
SMILESOCC(/N=C/c1cccc(/C=N/C(CO)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H23N3O2/c27-16-22(18-8-3-1-4-9-18)24-14-20-12-7-13-21(26-20)15-25-23(17-28)19-10-5-2-6-11-19/h1-15,22-23,27-28H,16-17H2/b24-14+,25-15+
InChIKeyKXSYVHPYWSHHIZ-KOJZRSEWSA-N
MW373.46 g/mol
LogP3.39
Rot. Bonds8

About 2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol

2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol (PubChem CID 4086151) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol
PubChem CID4086151
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol
SMILESOCC(/N=C/c1cccc(/C=N/C(CO)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H23N3O2/c27-16-22(18-8-3-1-4-9-18)24-14-20-12-7-13-21(26-20)15-25-23(17-28)19-10-5-2-6-11-19/h1-15,22-23,27-28H,16-17H2/b24-14+,25-15+
InChIKeyKXSYVHPYWSHHIZ-KOJZRSEWSA-N
XLogP3.39
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol
CID 2818120
(2S)-2-[[5-[5-[[6-[[(1S)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol
CID 53491370
CID 10914573
CID 10914573
(2R)-2-[(4-chlorophenyl)methylideneamino]-2-phenylethanol
CID 11253959
2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol
CID 137254256
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol
CID 136883517
2-(1-adamantylmethylideneamino)-2-phenylethanol
CID 91597147
(2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol
CID 59664764
N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine
CID 135678754
2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 136760092
2-[[(2R)-2-[(2-hydroxyphenyl)methylideneamino]-2-phenylethyl]iminomethyl]phenol
CID 136694430

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol?
The IUPAC name of 2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol (CID 4086151) is 2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol.
What is the SMILES notation for 2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol?
The canonical SMILES for 2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol is OCC(/N=C/c1cccc(/C=N/C(CO)c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol?
The InChIKey is KXSYVHPYWSHHIZ-KOJZRSEWSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-16-22(18-8-3-1-4-9-18)24-14-20-12-7-13-21(26-20)15-25-23(17-28)19-10-5-2-6-11-19/h1-15,22-23,27-28H,16-17H2/b24-14+,25-15+.
What are the key properties of 2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol?
2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol has a molecular weight of 373.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol is sourced from PubChem (CID 4086151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).