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

C14H21F2N — CID 79723951

IUPAC1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H21F2N/c1-9(2)5-6-14(17-4)11-7-10(3)12(15)8-13(11)16/h7-9,14,17H,5-6H2,1-4H3
InChIKeyLAVUTZNBSDJPMR-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.97
Rot. Bonds5

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

1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine (PubChem CID 79723951) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
PubChem CID79723951
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H21F2N/c1-9(2)5-6-14(17-4)11-7-10(3)12(15)8-13(11)16/h7-9,14,17H,5-6H2,1-4H3
InChIKeyLAVUTZNBSDJPMR-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79723863
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313
1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849318
1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine
CID 113319435
2-(5-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 103053283
1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 79724133
1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834345
1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine
CID 105028716
1-(2,4-difluoro-5-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207699
2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline
CID 103585744
2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115847577

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine (CID 79723951) is 1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine?
The InChIKey is LAVUTZNBSDJPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-9(2)5-6-14(17-4)11-7-10(3)12(15)8-13(11)16/h7-9,14,17H,5-6H2,1-4H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine?
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.97, 5 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,4-dimethylpentan-1-amine is sourced from PubChem (CID 79723951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).