(2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol

C16H17NO2 — CID 14972476

IUPAC(2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol
SMILESCOc1ccc(/C=N/[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)11-17-16(12-18)14-5-3-2-4-6-14/h2-11,16,18H,12H2,1H3/b17-11+/t16-/m1/s1
InChIKeyHSJUVOWDOWJILR-PCJMVEANSA-N
MW255.32 g/mol
LogP2.85
Rot. Bonds5

About (2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol

(2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol (PubChem CID 14972476) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol
PubChem CID14972476
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol
SMILESCOc1ccc(/C=N/[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)11-17-16(12-18)14-5-3-2-4-6-14/h2-11,16,18H,12H2,1H3/b17-11+/t16-/m1/s1
InChIKeyHSJUVOWDOWJILR-PCJMVEANSA-N
XLogP2.85
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Ethoxyphenyl)methylideneamino]-1-phenylethanol
CID 3881447
2-(4-Methoxyphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547841
N~1~,N~2~-bis[(4-methoxyphenyl)methylene]-1,2-ethanediamine
CID 224431
4-(4-Decoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15007800
2-(4-Methoxyphenyl)-4-phenyl-4,5-dihydrooxazole
CID 17756908
(4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole
CID 102142829
Benzylimidobis(p-methoxyphenyl)methane
CID 68233
Benzylamine, p-methoxy-N-(p-methoxybenzylidene)-
CID 578709
p-Methoxybenzylidene-benzyl-amine
CID 525701
2-(2,6-Difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 14853219
2-(2,6-Difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole
CID 14853245
4-(4-Butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853248

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol (CID 14972476) is (2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol is COc1ccc(/C=N/[C@H](CO)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol?
The InChIKey is HSJUVOWDOWJILR-PCJMVEANSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)11-17-16(12-18)14-5-3-2-4-6-14/h2-11,16,18H,12H2,1H3/b17-11+/t16-/m1/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol?
(2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol has a molecular weight of 255.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol is sourced from PubChem (CID 14972476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).