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

C15H23F2N — CID 79724625

IUPAC1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H23F2N/c1-5-7-10(3)15(18-6-2)12-8-11(4)13(16)9-14(12)17/h8-10,15,18H,5-7H2,1-4H3
InChIKeyJYNUDVZBIUIUJO-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.36
Rot. Bonds6

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

1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine (PubChem CID 79724625) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine
PubChem CID79724625
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H23F2N/c1-5-7-10(3)15(18-6-2)12-8-11(4)13(16)9-14(12)17/h8-10,15,18H,5-7H2,1-4H3
InChIKeyJYNUDVZBIUIUJO-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine
CID 114013619
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845535
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine
CID 107893373
1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 114013851
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105399147
1-(2-chlorofuran-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893430
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017296
N-[(2,4-difluoro-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79725395
1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol
CID 115788963
1-(2,4-difluoro-5-methylphenyl)pentylhydrazine
CID 105293823
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine
CID 81045762
1-(2,4-difluoro-5-methylphenyl)decan-1-amine
CID 79723933

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine (CID 79724625) is 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine is CCCC(C)C(NCC)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine?
The InChIKey is JYNUDVZBIUIUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-5-7-10(3)15(18-6-2)12-8-11(4)13(16)9-14(12)17/h8-10,15,18H,5-7H2,1-4H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine?
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.36, 6 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-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 79724625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).