1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine

C12H16FNO — CID 119082386

IUPAC1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine
SMILESCOCCC/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-10(14-8-3-9-15-2)11-4-6-12(13)7-5-11/h4-7H,3,8-9H2,1-2H3/b14-10+
InChIKeyAGZCNHSUPOIQHD-GXDHUFHOSA-N
MW209.26 g/mol
LogP2.67
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine

1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine (PubChem CID 119082386) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine
PubChem CID119082386
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine
SMILESCOCCC/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-10(14-8-3-9-15-2)11-4-6-12(13)7-5-11/h4-7H,3,8-9H2,1-2H3/b14-10+
InChIKeyAGZCNHSUPOIQHD-GXDHUFHOSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.67
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'}

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Related Compounds

(E,E)-1-(4-fluorophenyl)-N-methoxy-2-methylpent-1-en-3-imine
CID 44137959
5-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 11147900
[1-(4-Fluorophenyl)ethylidene](methoxy)amine
CID 59981154
(E)-1-(2,4-difluorophenyl)-N-methoxyethanimine
CID 88045298
1-(4-fluorophenyl)-N-methylethanimine
CID 88225013
[1-(2-Fluorophenyl)ethylidene](methoxy)amine
CID 119031840
N-Methyl-1-phenylethan-1-imine
CID 576474
(E)-1-phenylethan-1-one O-ethyl oxime
CID 13445522
5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 12009049
1-Propanamine, N-(1-phenylethylidene)-3-(triethoxysilyl)-
CID 105549
2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
CID 12869998
N-(4-fluorobenzylidene)-2-(vinyloxy)ethylamine
CID 15420454

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine (CID 119082386) is 1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine is COCCC/N=C(\C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine?
The InChIKey is AGZCNHSUPOIQHD-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H16FNO/c1-10(14-8-3-9-15-2)11-4-6-12(13)7-5-11/h4-7H,3,8-9H2,1-2H3/b14-10+.
What are the key properties of 1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine?
1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine has a molecular weight of 209.26 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-methoxypropyl)ethanimine is sourced from PubChem (CID 119082386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).