N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine

C13H18FN — CID 171148379

IUPACN-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine
SMILESCCCCNCC=Cc1ccc(F)cc1
InChIInChI=1S/C13H18FN/c1-2-3-10-15-11-4-5-12-6-8-13(14)9-7-12/h4-9,15H,2-3,10-11H2,1H3
InChIKeyAKVYYEFZTJAMFU-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.23
Rot. Bonds6

About N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine

N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine (PubChem CID 171148379) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine
PubChem CID171148379
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine
SMILESCCCCNCC=Cc1ccc(F)cc1
InChIInChI=1S/C13H18FN/c1-2-3-10-15-11-4-5-12-6-8-13(14)9-7-12/h4-9,15H,2-3,10-11H2,1H3
InChIKeyAKVYYEFZTJAMFU-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine?
The IUPAC name of N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine (CID 171148379) is N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine.
What is the SMILES notation for N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine?
The canonical SMILES for N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine is CCCCNCC=Cc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine?
The InChIKey is AKVYYEFZTJAMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-2-3-10-15-11-4-5-12-6-8-13(14)9-7-12/h4-9,15H,2-3,10-11H2,1H3.
What are the key properties of N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine?
N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine is sourced from PubChem (CID 171148379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).