1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine

C17H28FN — CID 83161179

IUPAC1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cc(C)cc(F)c1
InChIInChI=1S/C17H28FN/c1-5-9-19-17(8-6-7-13(2)3)15-10-14(4)11-16(18)12-15/h10-13,17,19H,5-9H2,1-4H3
InChIKeyZFINXMGAIJOYBE-UHFFFAOYSA-N
MW265.42 g/mol
LogP5.00
Rot. Bonds8

About 1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine

1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine (PubChem CID 83161179) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
PubChem CID83161179
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cc(C)cc(F)c1
InChIInChI=1S/C17H28FN/c1-5-9-19-17(8-6-7-13(2)3)15-10-14(4)11-16(18)12-15/h10-13,17,19H,5-9H2,1-4H3
InChIKeyZFINXMGAIJOYBE-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine
CID 83161134
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
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-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028526
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine
CID 105028858

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine (CID 83161179) is 1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is ZFINXMGAIJOYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-5-9-19-17(8-6-7-13(2)3)15-10-14(4)11-16(18)12-15/h10-13,17,19H,5-9H2,1-4H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine?
1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 5.00, 8 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)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 83161179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).