N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine

C17H27F2N — CID 43674172

IUPACN-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C17H27F2N/c1-11(2)8-15(9-12(3)4)20-13(5)16-10-14(18)6-7-17(16)19/h6-7,10-13,15,20H,8-9H2,1-5H3
InChIKeyUADQKYDUWRMIRF-UHFFFAOYSA-N
MW283.41 g/mol
LogP5.08
Rot. Bonds7

About N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine

N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine (PubChem CID 43674172) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
PubChem CID43674172
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C17H27F2N/c1-11(2)8-15(9-12(3)4)20-13(5)16-10-14(18)6-7-17(16)19/h6-7,10-13,15,20H,8-9H2,1-5H3
InChIKeyUADQKYDUWRMIRF-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
CID 43108471
N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 43191491
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,5-difluorophenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115639051
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
2-(1-chloro-3-methylbutyl)-1,4-difluorobenzene
CID 61086362
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine (CID 43674172) is N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine is CC(C)CC(CC(C)C)NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
The InChIKey is UADQKYDUWRMIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N/c1-11(2)8-15(9-12(3)4)20-13(5)16-10-14(18)6-7-17(16)19/h6-7,10-13,15,20H,8-9H2,1-5H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine has a molecular weight of 283.41 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 43674172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).