4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol

C17H20N2O2 — CID 139903884

IUPAC4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol
SMILESOc1ccc(OCCNCC/N=C/c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c20-16-6-8-17(9-7-16)21-13-12-18-10-11-19-14-15-4-2-1-3-5-15/h1-9,14,18,20H,10-13H2/b19-14+
InChIKeyDPQPDJLCBSCLNL-XMHGGMMESA-N
MW284.36 g/mol
LogP2.48
Rot. Bonds8

About 4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol

4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol (PubChem CID 139903884) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol.

Molecular Properties

Compound Name4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol
PubChem CID139903884
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol
SMILESOc1ccc(OCCNCC/N=C/c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c20-16-6-8-17(9-7-16)21-13-12-18-10-11-19-14-15-4-2-1-3-5-15/h1-9,14,18,20H,10-13H2/b19-14+
InChIKeyDPQPDJLCBSCLNL-XMHGGMMESA-N
XLogP2.48
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
6-[(2-phenoxyethylamino)methyl]pyridin-3-ol
CID 79783259
N-(2-fluoroethyl)-2-phenoxyethanamine
CID 80694190
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol
CID 154975242
4-[4-(butylamino)butoxy]phenol
CID 54220189
1,4-dibutoxybenzene;phenol
CID 174756360
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
2-[[2-(4-hydroxyphenoxy)ethylamino]methyl]butanoic acid
CID 158395144
N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide
CID 176680471
4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol
CID 69327181

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol?
The IUPAC name of 4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol (CID 139903884) is 4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol.
What is the SMILES notation for 4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol?
The canonical SMILES for 4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol is Oc1ccc(OCCNCC/N=C/c2ccccc2)cc1.
What is the InChIKey of 4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol?
The InChIKey is DPQPDJLCBSCLNL-XMHGGMMESA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-6-8-17(9-7-16)21-13-12-18-10-11-19-14-15-4-2-1-3-5-15/h1-9,14,18,20H,10-13H2/b19-14+.
What are the key properties of 4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol?
4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol has a molecular weight of 284.36 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol is sourced from PubChem (CID 139903884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).