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

C17H27F2N — CID 105028359

IUPAC1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)CC(CC)CC
InChIInChI=1S/C17H27F2N/c1-4-9-20-15(10-13(5-2)6-3)11-14-7-8-16(18)17(19)12-14/h7-8,12-13,15,20H,4-6,9-11H2,1-3H3
InChIKeyOBAXWLUDBKGZKT-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.70
Rot. Bonds9

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

1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine (PubChem CID 105028359) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
PubChem CID105028359
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)CC(CC)CC
InChIInChI=1S/C17H27F2N/c1-4-9-20-15(10-13(5-2)6-3)11-14-7-8-16(18)17(19)12-14/h7-8,12-13,15,20H,4-6,9-11H2,1-3H3
InChIKeyOBAXWLUDBKGZKT-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 114875109
1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine
CID 82923315
1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
CID 82922348
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
1-(3,4-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 82922146
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 82922479
1-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105176044
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
CID 82919675
[1-(3,4-difluorophenyl)-4-ethyloctan-2-yl]hydrazine
CID 105288434
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine
CID 107012123
1-(3,4-difluorophenyl)-N-propylbut-3-en-2-amine
CID 105000995

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine (CID 105028359) is 1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine is CCCNC(Cc1ccc(F)c(F)c1)CC(CC)CC.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine?
The InChIKey is OBAXWLUDBKGZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N/c1-4-9-20-15(10-13(5-2)6-3)11-14-7-8-16(18)17(19)12-14/h7-8,12-13,15,20H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine?
1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine has a molecular weight of 283.41 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine is sourced from PubChem (CID 105028359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).