N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine

C14H20FN — CID 103522681

IUPACN-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
SMILESCCC(NCC=C(C)C)c1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-4-14(16-9-8-11(2)3)12-6-5-7-13(15)10-12/h5-8,10,14,16H,4,9H2,1-3H3
InChIKeyVZHYGTSTWLLUCL-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.83
Rot. Bonds5

About N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine

N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine (PubChem CID 103522681) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
PubChem CID103522681
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
SMILESCCC(NCC=C(C)C)c1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-4-14(16-9-8-11(2)3)12-6-5-7-13(15)10-12/h5-8,10,14,16H,4,9H2,1-3H3
InChIKeyVZHYGTSTWLLUCL-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromophenyl)propyl]-3-methylbut-2-en-1-amine
CID 106180252
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol
CID 106547043
3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
CID 114871634
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129
3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide
CID 106170791
N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 114871691
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine (CID 103522681) is N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine is CCC(NCC=C(C)C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine?
The InChIKey is VZHYGTSTWLLUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-4-14(16-9-8-11(2)3)12-6-5-7-13(15)10-12/h5-8,10,14,16H,4,9H2,1-3H3.
What are the key properties of N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine?
N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine is sourced from PubChem (CID 103522681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).