N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine

C15H21FN2O — CID 142360352

IUPACN-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine
SMILESC=CCOc1cc(/C(C)=N/NCCCC)ccc1F
InChIInChI=1S/C15H21FN2O/c1-4-6-9-17-18-12(3)13-7-8-14(16)15(11-13)19-10-5-2/h5,7-8,11,17H,2,4,6,9-10H2,1,3H3/b18-12+
InChIKeyQOLRJUFZBOGBIL-LDADJPATSA-N
MW264.34 g/mol
LogP3.50
Rot. Bonds8

About N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine

N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine (PubChem CID 142360352) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine
PubChem CID142360352
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine
SMILESC=CCOc1cc(/C(C)=N/NCCCC)ccc1F
InChIInChI=1S/C15H21FN2O/c1-4-6-9-17-18-12(3)13-7-8-14(16)15(11-13)19-10-5-2/h5,7-8,11,17H,2,4,6,9-10H2,1,3H3/b18-12+
InChIKeyQOLRJUFZBOGBIL-LDADJPATSA-N
XLogP3.50
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine?
The IUPAC name of N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine (CID 142360352) is N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine.
What is the SMILES notation for N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine?
The canonical SMILES for N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine is C=CCOc1cc(/C(C)=N/NCCCC)ccc1F.
What is the InChIKey of N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine?
The InChIKey is QOLRJUFZBOGBIL-LDADJPATSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-6-9-17-18-12(3)13-7-8-14(16)15(11-13)19-10-5-2/h5,7-8,11,17H,2,4,6,9-10H2,1,3H3/b18-12+.
What are the key properties of N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine?
N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine has a molecular weight of 264.34 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine is sourced from PubChem (CID 142360352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).