5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine

C15H23F2N — CID 79731647

IUPAC5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine
SMILESCCCNCCCCCc1cc(C)c(F)cc1F
InChIInChI=1S/C15H23F2N/c1-3-8-18-9-6-4-5-7-13-10-12(2)14(16)11-15(13)17/h10-11,18H,3-9H2,1-2H3
InChIKeyATPTXHOMYNESLO-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.99
Rot. Bonds8

About 5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine

5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine (PubChem CID 79731647) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine
PubChem CID79731647
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine
SMILESCCCNCCCCCc1cc(C)c(F)cc1F
InChIInChI=1S/C15H23F2N/c1-3-8-18-9-6-4-5-7-13-10-12(2)14(16)11-15(13)17/h10-11,18H,3-9H2,1-2H3
InChIKeyATPTXHOMYNESLO-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.99
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

6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 79733100
6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine
CID 105400378
1,4-difluoro-2-methyl-5-pentylbenzene
CID 58718854
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
N-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
5-(2,5-dibromophenyl)-N-propylpentan-1-amine
CID 65300495
5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine
CID 83067861
N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
CID 81050602
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline
CID 167008995

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine (CID 79731647) is 5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine is CCCNCCCCCc1cc(C)c(F)cc1F.
What is the InChIKey of 5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine?
The InChIKey is ATPTXHOMYNESLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-3-8-18-9-6-4-5-7-13-10-12(2)14(16)11-15(13)17/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine?
5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 79731647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).