2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol

C18H22N2O — CID 123376779

IUPAC2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol
SMILESCC/C(Cc1ccc(N)cc1)=N\CC(O)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-17(12-14-8-10-16(19)11-9-14)20-13-18(21)15-6-4-3-5-7-15/h3-11,18,21H,2,12-13,19H2,1H3/b20-17+
InChIKeyADWRWWPLYCXPLV-LVZFUZTISA-N
MW282.39 g/mol
LogP3.40
Rot. Bonds6

About 2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol

2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol (PubChem CID 123376779) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol
PubChem CID123376779
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol
SMILESCC/C(Cc1ccc(N)cc1)=N\CC(O)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-17(12-14-8-10-16(19)11-9-14)20-13-18(21)15-6-4-3-5-7-15/h3-11,18,21H,2,12-13,19H2,1H3/b20-17+
InChIKeyADWRWWPLYCXPLV-LVZFUZTISA-N
XLogP3.40
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[bis(methylsulfanyl)methylideneamino]-1-phenylethanol
CID 101052436
2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
1-phenylpropan-1-ol;hydrate
CID 156782934
4-ethylaniline;2-hydroxy-2-phenylacetamide
CID 145017950
2-amino-1-phenylethanol;ethane
CID 91425169
2-(4-aminophenyl)acetic acid;propanoic acid
CID 175478961
dichloromethane;1-phenylpropan-1-ol
CID 175142848
4-[(1R)-1-phenylpropyl]aniline
CID 164669947
N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide
CID 172990012
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
N,1-diphenylbutan-2-imine
CID 13015455
2-[2-hydroxy-2-[4-(propoxymethyl)phenyl]ethyl]guanidine
CID 130433488

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol?
The IUPAC name of 2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol (CID 123376779) is 2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol.
What is the SMILES notation for 2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol?
The canonical SMILES for 2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol is CC/C(Cc1ccc(N)cc1)=N\CC(O)c1ccccc1.
What is the InChIKey of 2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol?
The InChIKey is ADWRWWPLYCXPLV-LVZFUZTISA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-17(12-14-8-10-16(19)11-9-14)20-13-18(21)15-6-4-3-5-7-15/h3-11,18,21H,2,12-13,19H2,1H3/b20-17+.
What are the key properties of 2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol?
2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol has a molecular weight of 282.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol is sourced from PubChem (CID 123376779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).