5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine

C16H24F3N — CID 83161134

IUPAC5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H24F3N/c1-4-8-20-15(7-5-6-11(2)3)12-9-13(17)16(19)14(18)10-12/h9-11,15,20H,4-8H2,1-3H3
InChIKeyQXDTXFCGGPIWHR-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.97
Rot. Bonds8

About 5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine

5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine (PubChem CID 83161134) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine
PubChem CID83161134
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H24F3N/c1-4-8-20-15(7-5-6-11(2)3)12-9-13(17)16(19)14(18)10-12/h9-11,15,20H,4-8H2,1-3H3
InChIKeyQXDTXFCGGPIWHR-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161179
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028526
1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine
CID 105028858
3-methylsulfonyl-N-propyl-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 62603368
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
5-methyl-N-propyl-1-thiophen-3-ylhexan-1-amine
CID 83161557
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
1-(4-ethylsulfanylphenyl)-5-methyl-N-propylhexan-1-amine
CID 106849361
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine (CID 83161134) is 5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine is CCCNC(CCCC(C)C)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine?
The InChIKey is QXDTXFCGGPIWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-4-8-20-15(7-5-6-11(2)3)12-9-13(17)16(19)14(18)10-12/h9-11,15,20H,4-8H2,1-3H3.
What are the key properties of 5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine?
5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine is sourced from PubChem (CID 83161134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).