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

C16H25F2N — CID 79724313

IUPAC1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H25F2N/c1-4-5-6-7-8-9-16(19-3)13-10-12(2)14(17)11-15(13)18/h10-11,16,19H,4-9H2,1-3H3
InChIKeyJHDLNGIGTKNBHK-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.89
Rot. Bonds8

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

1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine (PubChem CID 79724313) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
PubChem CID79724313
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H25F2N/c1-4-5-6-7-8-9-16(19-3)13-10-12(2)14(17)11-15(13)18/h10-11,16,19H,4-9H2,1-3H3
InChIKeyJHDLNGIGTKNBHK-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.89
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

1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine
CID 115837280
1-(2,4-difluoro-5-methylphenyl)pentylhydrazine
CID 105293823
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 79723951
1-(2,4-difluoro-5-methylphenyl)decan-1-amine
CID 79723933
1-(1-bromooctyl)-2,4-difluoro-5-methylbenzene
CID 79731208
1-(2,4-difluoro-5-methylphenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79723863
1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 81279034
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849318
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
N-ethyl-1-(2,4,5-trifluorophenyl)heptan-1-amine
CID 103302611

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine (CID 79724313) is 1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine?
The InChIKey is JHDLNGIGTKNBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-5-6-7-8-9-16(19-3)13-10-12(2)14(17)11-15(13)18/h10-11,16,19H,4-9H2,1-3H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine?
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine is sourced from PubChem (CID 79724313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).