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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-fluoro-3-prop-2-enoxybenzoate
CID 67441936
4-fluoro-3-prop-2-enoxyphenol
CID 11159544
(4-fluoro-3-prop-2-enoxyphenyl)boronic acid
CID 114674576
N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine
CID 142399866
1,2,4-trifluoro-5-prop-2-enoxybenzene
CID 130724512
3-butoxy-4-fluorophenol
CID 174949463
methyl 2,3-difluoro-6-prop-2-enoxybenzoate
CID 170553452
2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene
CID 145227479
N-butyl-4-fluoro-3-phenoxybenzamide
CID 134100866
N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide
CID 4928953
N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide
CID 54784631
1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191516

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).