N-[1-(4-fluorophenyl)ethyl]butan-1-amine

C12H18FN — CID 43178003

IUPACN-[1-(4-fluorophenyl)ethyl]butan-1-amine
SMILESCCCCNC(C)c1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-3-4-9-14-10(2)11-5-7-12(13)8-6-11/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyGLLGGCPKMYWLCL-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.28
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]butan-1-amine

N-[1-(4-fluorophenyl)ethyl]butan-1-amine (PubChem CID 43178003) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]butan-1-amine
PubChem CID43178003
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]butan-1-amine
SMILESCCCCNC(C)c1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-3-4-9-14-10(2)11-5-7-12(13)8-6-11/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyGLLGGCPKMYWLCL-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.28
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-[1-(4-fluorophenyl)ethyl]butan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]butan-1-amine (CID 43178003) is N-[1-(4-fluorophenyl)ethyl]butan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]butan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]butan-1-amine is CCCCNC(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]butan-1-amine?
The InChIKey is GLLGGCPKMYWLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-3-4-9-14-10(2)11-5-7-12(13)8-6-11/h5-8,10,14H,3-4,9H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]butan-1-amine?
N-[1-(4-fluorophenyl)ethyl]butan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]butan-1-amine is sourced from PubChem (CID 43178003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).