(E)-N-(2-phenylethoxy)propan-1-imine

C11H15NO — CID 88538979

IUPAC(E)-N-(2-phenylethoxy)propan-1-imine
SMILESCC/C=N/OCCc1ccccc1
InChIInChI=1S/C11H15NO/c1-2-9-12-13-10-8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3/b12-9+
InChIKeyGFOWVLNVFQMIGD-FMIVXFBMSA-N
MW177.25 g/mol
LogP2.64
Rot. Bonds5

About (E)-N-(2-phenylethoxy)propan-1-imine

(E)-N-(2-phenylethoxy)propan-1-imine (PubChem CID 88538979) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (E)-N-(2-phenylethoxy)propan-1-imine.

Molecular Properties

Compound Name(E)-N-(2-phenylethoxy)propan-1-imine
PubChem CID88538979
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(E)-N-(2-phenylethoxy)propan-1-imine
SMILESCC/C=N/OCCc1ccccc1
InChIInChI=1S/C11H15NO/c1-2-9-12-13-10-8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3/b12-9+
InChIKeyGFOWVLNVFQMIGD-FMIVXFBMSA-N
XLogP2.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethylbenzene
CID 19089
N-(2-phenylmethoxyphenoxy)propan-1-imine
CID 118526745
CID 11412729
CID 11412729
2-methylperoxyethylbenzene;propanal
CID 91084545
N-methoxy-3-phenylpropan-1-imine
CID 73200493
2-pentoxyethylbenzene
CID 3022447
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
(Z)-N-ethyl-N-methyl-2-(2-phenylethoxy)ethenamine
CID 153469242
2-(butoxymethoxy)ethylbenzene
CID 14640423
CID 58731637
CID 58731637
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-phenylethoxy)propan-1-imine?
The IUPAC name of (E)-N-(2-phenylethoxy)propan-1-imine (CID 88538979) is (E)-N-(2-phenylethoxy)propan-1-imine.
What is the SMILES notation for (E)-N-(2-phenylethoxy)propan-1-imine?
The canonical SMILES for (E)-N-(2-phenylethoxy)propan-1-imine is CC/C=N/OCCc1ccccc1.
What is the InChIKey of (E)-N-(2-phenylethoxy)propan-1-imine?
The InChIKey is GFOWVLNVFQMIGD-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-9-12-13-10-8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3/b12-9+.
What are the key properties of (E)-N-(2-phenylethoxy)propan-1-imine?
(E)-N-(2-phenylethoxy)propan-1-imine has a molecular weight of 177.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-phenylethoxy)propan-1-imine is sourced from PubChem (CID 88538979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).