N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine

C11H15F2N — CID 24705464

IUPACN-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2N/c1-3-6-14-8(2)10-7-9(12)4-5-11(10)13/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyLBIGIIPELINLEI-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine

N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine (PubChem CID 24705464) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
PubChem CID24705464
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2N/c1-3-6-14-8(2)10-7-9(12)4-5-11(10)13/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyLBIGIIPELINLEI-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-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63983699
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
N-[1-(2,5-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115900168
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
N-[1-(2,5-difluorophenyl)ethyl]pent-3-yn-1-amine
CID 104758066
N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102977960
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659
N-[1-(2,5-difluorophenyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115720905

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine (CID 24705464) is N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine is CCCNC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is LBIGIIPELINLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-6-14-8(2)10-7-9(12)4-5-11(10)13/h4-5,7-8,14H,3,6H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine?
N-[1-(2,5-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-(2,5-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 24705464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).