N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine

C11H15F2N — CID 24691254

IUPACN-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1F
InChIInChI=1S/C11H15F2N/c1-3-7-14-8(2)11-9(12)5-4-6-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyDEWLNVLVXXHDNA-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine

N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine (PubChem CID 24691254) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
PubChem CID24691254
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1F
InChIInChI=1S/C11H15F2N/c1-3-7-14-8(2)11-9(12)5-4-6-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyDEWLNVLVXXHDNA-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
N-[1-[2-(2-chlorophenyl)sulfanyl-6-fluorophenyl]ethyl]propan-1-amine
CID 43286274
N-[1-(2,6-difluorophenyl)ethyl]but-3-en-1-amine
CID 115900114
3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
CID 43285956
N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636418
N-[1-[2-fluoro-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61227145
N-[1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethyl]propan-1-amine
CID 82782468
N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine
CID 43101828
N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline
CID 61446087
1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
CID 43499407
1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine
CID 79522247
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
CID 103776626

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine (CID 24691254) is N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine is CCCNC(C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is DEWLNVLVXXHDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-7-14-8(2)11-9(12)5-4-6-10(11)13/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine?
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 24691254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).