N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine

C16H25F2N — CID 43103346

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(C)c1ccc(F)cc1F
InChIInChI=1S/C16H25F2N/c1-4-6-7-13(5-2)11-19-12(3)15-9-8-14(17)10-16(15)18/h8-10,12-13,19H,4-7,11H2,1-3H3
InChIKeyGFEGYJFVIKDEHA-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.83
Rot. Bonds8

About N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine

N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine (PubChem CID 43103346) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
PubChem CID43103346
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(C)c1ccc(F)cc1F
InChIInChI=1S/C16H25F2N/c1-4-6-7-13(5-2)11-19-12(3)15-9-8-14(17)10-16(15)18/h8-10,12-13,19H,4-7,11H2,1-3H3
InChIKeyGFEGYJFVIKDEHA-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

4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 66092240
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine
CID 81374760
4-[1-[(2-ethyl-4-hydroxybutyl)amino]ethyl]-3-fluorobenzonitrile
CID 110028651
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine
CID 114871074
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
CID 107716594
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine (CID 43103346) is N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine is CCCCC(CC)CNC(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine?
The InChIKey is GFEGYJFVIKDEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-6-7-13(5-2)11-19-12(3)15-9-8-14(17)10-16(15)18/h8-10,12-13,19H,4-7,11H2,1-3H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine?
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-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 N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 43103346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).