3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol

C17H19NO — CID 101452227

IUPAC3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol
SMILESCc1ccc(/C=N/C(CCO)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-14-7-9-15(10-8-14)13-18-17(11-12-19)16-5-3-2-4-6-16/h2-10,13,17,19H,11-12H2,1H3/b18-13+
InChIKeyFCWOKQRDCHOISG-QGOAFFKASA-N
MW253.35 g/mol
LogP3.54
Rot. Bonds5

About 3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol

3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol (PubChem CID 101452227) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol
PubChem CID101452227
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol
SMILESCc1ccc(/C=N/C(CCO)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-14-7-9-15(10-8-14)13-18-17(11-12-19)16-5-3-2-4-6-16/h2-10,13,17,19H,11-12H2,1H3/b18-13+
InChIKeyFCWOKQRDCHOISG-QGOAFFKASA-N
XLogP3.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.54
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
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 13093267
(S)-N-Benzylidene-1-methoxy-3-phenylpropan-2-amine
CID 383468
(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
N-[(1R)-2-methoxy-1-phenylethyl]-1-phenylmethanimine
CID 10868377
N-[(1S)-2-methoxy-1-phenylethyl]-1-phenylmethanimine
CID 11436387
(2R)-2-(butylideneamino)-2-phenylethanol
CID 12170642
1-(4-Methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
CID 132961414

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol (CID 101452227) is 3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol is Cc1ccc(/C=N/C(CCO)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol?
The InChIKey is FCWOKQRDCHOISG-QGOAFFKASA-N. The full InChI is InChI=1S/C17H19NO/c1-14-7-9-15(10-8-14)13-18-17(11-12-19)16-5-3-2-4-6-16/h2-10,13,17,19H,11-12H2,1H3/b18-13+.
What are the key properties of 3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol?
3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylideneamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 101452227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).