1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine

C19H22FNO2 — CID 90825807

IUPAC1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine
SMILESCCC=C(NOCc1ccccc1)c1ccc(COC)c(F)c1
InChIInChI=1S/C19H22FNO2/c1-3-7-19(21-23-13-15-8-5-4-6-9-15)16-10-11-17(14-22-2)18(20)12-16/h4-12,21H,3,13-14H2,1-2H3
InChIKeyQIZGYKRQHPCASJ-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.44
Rot. Bonds8

About 1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine

1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine (PubChem CID 90825807) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine
PubChem CID90825807
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine
SMILESCCC=C(NOCc1ccccc1)c1ccc(COC)c(F)c1
InChIInChI=1S/C19H22FNO2/c1-3-7-19(21-23-13-15-8-5-4-6-9-15)16-10-11-17(14-22-2)18(20)12-16/h4-12,21H,3,13-14H2,1-2H3
InChIKeyQIZGYKRQHPCASJ-UHFFFAOYSA-N
XLogP4.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(((3-Fluoro)benzyloxy)methyl)benzylamine
CID 46223590
1-Phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 57100097
[4-[[Fluoro(phenyl)methoxy]methyl]phenyl]methanamine
CID 66869855
4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile
CID 90048203
3-(4-fluorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90684633
1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
CID 90896555
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
CID 90926595
1-(4-fluorophenyl)-N-phenylmethoxybut-1-en-1-amine
CID 90954616
3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine
CID 91012287
2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine
CID 91090348
5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 91102428
1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine
CID 91145559

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine?
The IUPAC name of 1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine (CID 90825807) is 1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine.
What is the SMILES notation for 1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine?
The canonical SMILES for 1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine is CCC=C(NOCc1ccccc1)c1ccc(COC)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine?
The InChIKey is QIZGYKRQHPCASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-3-7-19(21-23-13-15-8-5-4-6-9-15)16-10-11-17(14-22-2)18(20)12-16/h4-12,21H,3,13-14H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine?
1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine has a molecular weight of 315.39 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine is sourced from PubChem (CID 90825807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).