N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine

C15H22FN — CID 4711979

IUPACN-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine
SMILESC=CCC(NCCCCC)c1ccccc1F
InChIInChI=1S/C15H22FN/c1-3-5-8-12-17-15(9-4-2)13-10-6-7-11-14(13)16/h4,6-7,10-11,15,17H,2-3,5,8-9,12H2,1H3
InChIKeyWBPAYYQNKAELRZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.22
Rot. Bonds8

About N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine

N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine (PubChem CID 4711979) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine
PubChem CID4711979
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine
SMILESC=CCC(NCCCCC)c1ccccc1F
InChIInChI=1S/C15H22FN/c1-3-5-8-12-17-15(9-4-2)13-10-6-7-11-14(13)16/h4,6-7,10-11,15,17H,2-3,5,8-9,12H2,1H3
InChIKeyWBPAYYQNKAELRZ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-[1-(2-fluorophenyl)but-3-enylamino]ethanol
CID 115755860
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine
CID 115755868
N-(2-chloroprop-2-enyl)-1-(2-fluorophenyl)but-3-en-1-amine
CID 115891033
1-(4-chloro-2-fluorophenyl)-N-propylbut-3-en-1-amine
CID 63081783
1-(2-fluoro-5-methylphenyl)-N-propylbut-3-en-1-amine
CID 116660920
3-(2-fluorophenyl)-4-(hexylamino)butanal
CID 170080548
N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide
CID 103947611
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
1-(4-bromophenyl)-N-butylbut-3-en-1-amine
CID 177091582
1-(2-fluorophenyl)dodecylhydrazine
CID 105292285
1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
CID 143236247

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine?
The IUPAC name of N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine (CID 4711979) is N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine is C=CCC(NCCCCC)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine?
The InChIKey is WBPAYYQNKAELRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-5-8-12-17-15(9-4-2)13-10-6-7-11-14(13)16/h4,6-7,10-11,15,17H,2-3,5,8-9,12H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine?
N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine is sourced from PubChem (CID 4711979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).