1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine

C15H22FNO — CID 113258069

IUPAC1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
SMILESC=C(C)COCCNC(CC)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-4-15(13-5-7-14(16)8-6-13)17-9-10-18-11-12(2)3/h5-8,15,17H,2,4,9-11H2,1,3H3
InChIKeyPDLIEYKXWRTELR-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.46
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine

1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine (PubChem CID 113258069) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
PubChem CID113258069
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
SMILESC=C(C)COCCNC(CC)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-4-15(13-5-7-14(16)8-6-13)17-9-10-18-11-12(2)3/h5-8,15,17H,2,4,9-11H2,1,3H3
InChIKeyPDLIEYKXWRTELR-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894124
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115894123
methyl 4-[1-(4-fluorophenyl)propylamino]butanoate
CID 54920511
1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
CID 43096991
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894167
N-[2-[1-(4-fluorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115641196
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105088079

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine (CID 113258069) is 1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine is C=C(C)COCCNC(CC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The InChIKey is PDLIEYKXWRTELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-15(13-5-7-14(16)8-6-13)17-9-10-18-11-12(2)3/h5-8,15,17H,2,4,9-11H2,1,3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine is sourced from PubChem (CID 113258069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).