3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine

C17H27F2N — CID 130243080

IUPAC3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCc1ccc(CC)c(F)c1F
InChIInChI=1S/C17H27F2N/c1-4-11-20(12-5-2)13-7-8-15-10-9-14(6-3)16(18)17(15)19/h9-10H,4-8,11-13H2,1-3H3
InChIKeyJEINERUSOCIASW-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.58
Rot. Bonds9

About 3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine

3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine (PubChem CID 130243080) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine
PubChem CID130243080
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCc1ccc(CC)c(F)c1F
InChIInChI=1S/C17H27F2N/c1-4-11-20(12-5-2)13-7-8-15-10-9-14(6-3)16(18)17(15)19/h9-10H,4-8,11-13H2,1-3H3
InChIKeyJEINERUSOCIASW-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849
2,3-difluoro-4-hexylphenol
CID 19910978
2,3-difluoro-4-heptylbenzaldehyde;2,3-difluoro-4-pentylbenzaldehyde;2,3-difluoro-4-propylbenzaldehyde;4-ethyl-2,3-difluorobenzaldehyde
CID 159912257
1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine
CID 166651415
2,3-difluoro-4-propylphenol
CID 14495704
2,3-difluoro-4-pentylbenzoic acid
CID 19103630
1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
CID 130140887
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
1-butyl-4-[4-[(E)-2-(4-ethyl-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 88997553

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine (CID 130243080) is 3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCc1ccc(CC)c(F)c1F.
What is the InChIKey of 3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine?
The InChIKey is JEINERUSOCIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N/c1-4-11-20(12-5-2)13-7-8-15-10-9-14(6-3)16(18)17(15)19/h9-10H,4-8,11-13H2,1-3H3.
What are the key properties of 3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine?
3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 130243080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).