1-(2,4-difluoro-5-methylphenyl)decan-1-amine

C17H27F2N — CID 79723933

IUPAC1-(2,4-difluoro-5-methylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cc(C)c(F)cc1F
InChIInChI=1S/C17H27F2N/c1-3-4-5-6-7-8-9-10-17(20)14-11-13(2)15(18)12-16(14)19/h11-12,17H,3-10,20H2,1-2H3
InChIKeyDDJFIMADKKISIY-UHFFFAOYSA-N
MW283.41 g/mol
LogP5.41
Rot. Bonds9

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

1-(2,4-difluoro-5-methylphenyl)decan-1-amine (PubChem CID 79723933) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)decan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)decan-1-amine
PubChem CID79723933
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-(2,4-difluoro-5-methylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cc(C)c(F)cc1F
InChIInChI=1S/C17H27F2N/c1-3-4-5-6-7-8-9-10-17(20)14-11-13(2)15(18)12-16(14)19/h11-12,17H,3-10,20H2,1-2H3
InChIKeyDDJFIMADKKISIY-UHFFFAOYSA-N
XLogP5.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.41
LogP ≤ 55.41
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-(2,5-difluoro-4-methylphenyl)heptan-1-amine
CID 114752602
1-(1-bromooctyl)-2,4-difluoro-5-methylbenzene
CID 79731208
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313
(1R)-1-(2,4,5-trifluorophenyl)pentan-1-amine;hydrochloride
CID 171209909
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820
1-(2,4-difluoro-5-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 115820220
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
1-(2,4-difluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039225
1-(2,4-difluoro-5-methylphenyl)pentylhydrazine
CID 105293823
1-(2,4-difluoro-5-methylphenyl)-3-methylbutan-1-amine
CID 79724390

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)decan-1-amine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)decan-1-amine (CID 79723933) is 1-(2,4-difluoro-5-methylphenyl)decan-1-amine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)decan-1-amine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)decan-1-amine is CCCCCCCCCC(N)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)decan-1-amine?
The InChIKey is DDJFIMADKKISIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N/c1-3-4-5-6-7-8-9-10-17(20)14-11-13(2)15(18)12-16(14)19/h11-12,17H,3-10,20H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)decan-1-amine?
1-(2,4-difluoro-5-methylphenyl)decan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 5.41, 9 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)decan-1-amine is sourced from PubChem (CID 79723933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).