1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine

C16H25F2N — CID 43491010

IUPAC1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1ccc(F)cc1F
InChIInChI=1S/C16H25F2N/c1-4-7-8-12(5-2)16(19-6-3)14-10-9-13(17)11-15(14)18/h9-12,16,19H,4-8H2,1-3H3
InChIKeyCAQGPPFAFSGYTB-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.83
Rot. Bonds8

About 1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine

1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine (PubChem CID 43491010) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
PubChem CID43491010
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1ccc(F)cc1F
InChIInChI=1S/C16H25F2N/c1-4-7-8-12(5-2)16(19-6-3)14-10-9-13(17)11-15(14)18/h9-12,16,19H,4-8H2,1-3H3
InChIKeyCAQGPPFAFSGYTB-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
CID 115827935
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
CID 43561588
N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
CID 79747386
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
[1-(2-chloro-5-fluorophenyl)-2-ethylhexyl]hydrazine
CID 105398110
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
CID 43103346
N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 115855168
1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine
CID 105027083
1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 113422000
N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine
CID 105035820
1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 102622959

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine (CID 43491010) is 1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine is CCCCC(CC)C(NCC)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine?
The InChIKey is CAQGPPFAFSGYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-7-8-12(5-2)16(19-6-3)14-10-9-13(17)11-15(14)18/h9-12,16,19H,4-8H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine?
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine is sourced from PubChem (CID 43491010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).