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

C16H17NO — CID 102477648

IUPAC(2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol
SMILESCc1ccc(/C=N/[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-13-7-9-14(10-8-13)11-17-16(12-18)15-5-3-2-4-6-15/h2-11,16,18H,12H2,1H3/b17-11+/t16-/m1/s1
InChIKeyGSSJVTZDDDZEPQ-PCJMVEANSA-N
MW239.32 g/mol
LogP3.15
Rot. Bonds4

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

(2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol (PubChem CID 102477648) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol
PubChem CID102477648
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol
SMILESCc1ccc(/C=N/[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-13-7-9-14(10-8-13)11-17-16(12-18)15-5-3-2-4-6-15/h2-11,16,18H,12H2,1H3/b17-11+/t16-/m1/s1
InChIKeyGSSJVTZDDDZEPQ-PCJMVEANSA-N
XLogP3.15
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((p-Fluorobenzylidene)amino)-3-phenyl-1-propanol
CID 208995
2-((p-Methylbenzylidene)amino)-3-phenyl-1-propanol
CID 208997
2-(Benzylideneamino)-1-phenyl-1-propanol
CID 3342267
(betaR)-beta-[(Phenylmethylene)amino]benzeneethanol
CID 10911227
(S)-N-Benzylidene-1-methoxy-3-phenylpropan-2-amine
CID 383468
1-(Benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol
CID 22049431
(S,E)-1-phenyl-N-(4-(trifluoromethyl)benzylidene)-2-(trimethylsilyloxy)ethanamine
CID 76045509
(2S)-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylideneamino]ethanol
CID 140150128
3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol
CID 143733259
2-(4-Tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol
CID 163567407
(1E)-N-[(1R)-2-Methoxy-1-phenylethyl]butan-1-imine
CID 10845916
N-[(1R)-2-methoxy-1-phenylethyl]-1-phenylmethanimine
CID 10868377

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol (CID 102477648) is (2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol is Cc1ccc(/C=N/[C@H](CO)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol?
The InChIKey is GSSJVTZDDDZEPQ-PCJMVEANSA-N. The full InChI is InChI=1S/C16H17NO/c1-13-7-9-14(10-8-13)11-17-16(12-18)15-5-3-2-4-6-15/h2-11,16,18H,12H2,1H3/b17-11+/t16-/m1/s1.
What are the key properties of (2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol?
(2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol has a molecular weight of 239.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylphenyl)methylideneamino]-2-phenylethanol is sourced from PubChem (CID 102477648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).