5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine

C16H24FN — CID 154970163

IUPAC5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine
SMILESC=C(CC)c1ccc(F)cc1CCCCCNC
InChIInChI=1S/C16H24FN/c1-4-13(2)16-10-9-15(17)12-14(16)8-6-5-7-11-18-3/h9-10,12,18H,2,4-8,11H2,1,3H3
InChIKeyPRBFKVSGWQPCHK-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.18
Rot. Bonds8

About 5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine

5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine (PubChem CID 154970163) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine
PubChem CID154970163
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine
SMILESC=C(CC)c1ccc(F)cc1CCCCCNC
InChIInChI=1S/C16H24FN/c1-4-13(2)16-10-9-15(17)12-14(16)8-6-5-7-11-18-3/h9-10,12,18H,2,4-8,11H2,1,3H3
InChIKeyPRBFKVSGWQPCHK-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.18
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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Related Compounds

5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine
CID 154969605
1-but-1-en-2-yl-2,4-difluorobenzene
CID 57095622
N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202122
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine
CID 154970033
3-(6-fluoro-2-methylquinolin-3-yl)-N-methylpropan-1-amine
CID 82242928
1-(4-fluoro-2-methylphenyl)-4-(methylamino)butan-1-one
CID 116555760
1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
CID 105376531
4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline
CID 167008995
6-(2-but-1-en-2-yl-4-methylphenyl)hexan-1-amine
CID 166814378
2,4-difluoro-1-pentylbenzene
CID 20770613
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148

Frequently Asked Questions

What is the IUPAC name of 5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine?
The IUPAC name of 5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine (CID 154970163) is 5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine?
The canonical SMILES for 5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine is C=C(CC)c1ccc(F)cc1CCCCCNC.
What is the InChIKey of 5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine?
The InChIKey is PRBFKVSGWQPCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-13(2)16-10-9-15(17)12-14(16)8-6-5-7-11-18-3/h9-10,12,18H,2,4-8,11H2,1,3H3.
What are the key properties of 5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine?
5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-but-1-en-2-yl-5-fluorophenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 154970163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).