1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine

C18H20FNO — CID 91484777

IUPAC1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine
SMILESCCC=C(NOCc1ccccc1)c1ccc(C)c(F)c1
InChIInChI=1S/C18H20FNO/c1-3-7-18(16-11-10-14(2)17(19)12-16)20-21-13-15-8-5-4-6-9-15/h4-12,20H,3,13H2,1-2H3
InChIKeyWHLMYXURJIRIQA-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.61
Rot. Bonds6

About 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine

1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine (PubChem CID 91484777) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine
PubChem CID91484777
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine
SMILESCCC=C(NOCc1ccccc1)c1ccc(C)c(F)c1
InChIInChI=1S/C18H20FNO/c1-3-7-18(16-11-10-14(2)17(19)12-16)20-21-13-15-8-5-4-6-9-15/h4-12,20H,3,13H2,1-2H3
InChIKeyWHLMYXURJIRIQA-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 12589378
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CID 57100784
5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
CID 57249872
3-fluoro-N-phenylmethoxyaniline
CID 59957349
(2-Fluoro-benzyloxy)-benzylamine
CID 86761305
N-[fluoro(phenyl)methoxy]aniline
CID 87377775
1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine
CID 90825807
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90892788
1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
CID 90896555
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine (CID 91484777) is 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine is CCC=C(NOCc1ccccc1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine?
The InChIKey is WHLMYXURJIRIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-3-7-18(16-11-10-14(2)17(19)12-16)20-21-13-15-8-5-4-6-9-15/h4-12,20H,3,13H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine?
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine has a molecular weight of 285.36 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxybut-1-en-1-amine is sourced from PubChem (CID 91484777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).