1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine

C16H25F2N — CID 115845535

IUPAC1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H25F2N/c1-5-7-11(3)8-16(19-6-2)13-9-12(4)14(17)10-15(13)18/h9-11,16,19H,5-8H2,1-4H3
InChIKeyBDKGWHVKKSJEAJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.75
Rot. Bonds7

About 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine

1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine (PubChem CID 115845535) 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-ethyl-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine
PubChem CID115845535
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H25F2N/c1-5-7-11(3)8-16(19-6-2)13-9-12(4)14(17)10-15(13)18/h9-11,16,19H,5-8H2,1-4H3
InChIKeyBDKGWHVKKSJEAJ-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 79726732
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 79724625
1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol
CID 115788963
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 79724994
1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63413122
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115794160
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 79726305
1-(2-bromo-4-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845391
1-(2,4-difluoro-5-methylphenyl)pentylhydrazine
CID 105293823
3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103302896
1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 79724133
1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845233

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine (CID 115845535) is 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine is CCCC(C)CC(NCC)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine?
The InChIKey is BDKGWHVKKSJEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-5-7-11(3)8-16(19-6-2)13-9-12(4)14(17)10-15(13)18/h9-11,16,19H,5-8H2,1-4H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine?
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.75, 7 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-3-methylhexan-1-amine is sourced from PubChem (CID 115845535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).