1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine

C16H24FN — CID 114475635

IUPAC1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1cc(C)cc(F)c1
InChIInChI=1S/C16H24FN/c1-5-8-18-16(7-6-12(2)3)14-9-13(4)10-15(17)11-14/h9-11,16,18H,2,5-8H2,1,3-4H3
InChIKeyLVUVETFZFXXWIZ-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.53
Rot. Bonds7

About 1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine

1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 114475635) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID114475635
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1cc(C)cc(F)c1
InChIInChI=1S/C16H24FN/c1-5-8-18-16(7-6-12(2)3)14-9-13(4)10-15(17)11-14/h9-11,16,18H,2,5-8H2,1,3-4H3
InChIKeyLVUVETFZFXXWIZ-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.53
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

1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161179
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
1-(3-fluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 114475629
1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039748
N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 79704216
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039592
1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
CID 114474365
1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 106849339
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine (CID 114475635) is 1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is LVUVETFZFXXWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-5-8-18-16(7-6-12(2)3)14-9-13(4)10-15(17)11-14/h9-11,16,18H,2,5-8H2,1,3-4H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 114475635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).