1-(benzylideneamino)ethanol

C9H11NO — CID 66697160

IUPAC1-(benzylideneamino)ethanol
SMILESCC(O)N=Cc1ccccc1
InChIInChI=1S/C9H11NO/c1-8(11)10-7-9-5-3-2-4-6-9/h2-8,11H,1H3
InChIKeyPKBWSVYZZFPORW-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.44
Rot. Bonds2

About 1-(benzylideneamino)ethanol

1-(benzylideneamino)ethanol (PubChem CID 66697160) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(benzylideneamino)ethanol.

Molecular Properties

Compound Name1-(benzylideneamino)ethanol
PubChem CID66697160
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(benzylideneamino)ethanol
SMILESCC(O)N=Cc1ccccc1
InChIInChI=1S/C9H11NO/c1-8(11)10-7-9-5-3-2-4-6-9/h2-8,11H,1H3
InChIKeyPKBWSVYZZFPORW-UHFFFAOYSA-N
XLogP1.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.44
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

N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
3-(benzylideneamino)butan-1-ol
CID 101452219
3-(benzylideneamino)-3-methylbutan-2-ol
CID 130129023
N-(2-methyl-1-phenylpropyl)-1-phenylmethanimine
CID 12733574
N-[bis(trimethylsilyl)methyl]-1-phenylmethanimine
CID 71344888
(2R)-1-(benzylideneamino)butan-2-ol
CID 99912472
(1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol
CID 101116812
(2R)-2-(benzylideneamino)-4-methylpentanamide
CID 71352667
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-benzylidenehydroxylamine;ethane
CID 90698406
1-[(2,6-dichlorophenyl)methylideneamino]ethanol
CID 56981300
2,5-bis(benzylideneamino)hexanoic acid
CID 118619521

Frequently Asked Questions

What is the IUPAC name of 1-(benzylideneamino)ethanol?
The IUPAC name of 1-(benzylideneamino)ethanol (CID 66697160) is 1-(benzylideneamino)ethanol.
What is the SMILES notation for 1-(benzylideneamino)ethanol?
The canonical SMILES for 1-(benzylideneamino)ethanol is CC(O)N=Cc1ccccc1.
What is the InChIKey of 1-(benzylideneamino)ethanol?
The InChIKey is PKBWSVYZZFPORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-8(11)10-7-9-5-3-2-4-6-9/h2-8,11H,1H3.
What are the key properties of 1-(benzylideneamino)ethanol?
1-(benzylideneamino)ethanol has a molecular weight of 149.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)ethanol is sourced from PubChem (CID 66697160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).