1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine

C13H18FNO — CID 107693102

IUPAC1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine
SMILESC=CC(C)Oc1ccc(CC(C)N)cc1F
InChIInChI=1S/C13H18FNO/c1-4-10(3)16-13-6-5-11(7-9(2)15)8-12(13)14/h4-6,8-10H,1,7,15H2,2-3H3
InChIKeyUFXIZVWUTZSRHM-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.67
Rot. Bonds5

About 1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine

1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine (PubChem CID 107693102) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine
PubChem CID107693102
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine
SMILESC=CC(C)Oc1ccc(CC(C)N)cc1F
InChIInChI=1S/C13H18FNO/c1-4-10(3)16-13-6-5-11(7-9(2)15)8-12(13)14/h4-6,8-10H,1,7,15H2,2-3H3
InChIKeyUFXIZVWUTZSRHM-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine
CID 63803510
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803801
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 107692963
2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine
CID 62384351
1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 107693086
1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine
CID 107693080

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine (CID 107693102) is 1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine is C=CC(C)Oc1ccc(CC(C)N)cc1F.
What is the InChIKey of 1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine?
The InChIKey is UFXIZVWUTZSRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-10(3)16-13-6-5-11(7-9(2)15)8-12(13)14/h4-6,8-10H,1,7,15H2,2-3H3.
What are the key properties of 1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine?
1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine has a molecular weight of 223.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 107693102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).