1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine

C15H23F2N — CID 82822293

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H23F2N/c1-5-18-13(9-6-10(2)3)14-12(16)8-7-11(4)15(14)17/h7-8,10,13,18H,5-6,9H2,1-4H3
InChIKeyFQBOHXOLRKEYRS-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.36
Rot. Bonds6

About 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine

1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine (PubChem CID 82822293) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
PubChem CID82822293
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H23F2N/c1-5-18-13(9-6-10(2)3)14-12(16)8-7-11(4)15(14)17/h7-8,10,13,18H,5-6,9H2,1-4H3
InChIKeyFQBOHXOLRKEYRS-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

1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105175820
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 82823040
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
CID 82815037
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860877
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 82797111
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846782
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039592
(1R,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)-5-methylhexan-2-ol
CID 171264115

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine (CID 82822293) is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine is CCNC(CCC(C)C)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine?
The InChIKey is FQBOHXOLRKEYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-5-18-13(9-6-10(2)3)14-12(16)8-7-11(4)15(14)17/h7-8,10,13,18H,5-6,9H2,1-4H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-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-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 82822293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).