N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine

C13H19F2N — CID 62605156

IUPACN-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2N/c1-3-13(4-2)16-6-5-10-7-11(14)9-12(15)8-10/h7-9,13,16H,3-6H2,1-2H3
InChIKeyZZEJQWLZQALKTM-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine

N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine (PubChem CID 62605156) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine
PubChem CID62605156
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2N/c1-3-13(4-2)16-6-5-10-7-11(14)9-12(15)8-10/h7-9,13,16H,3-6H2,1-2H3
InChIKeyZZEJQWLZQALKTM-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]heptan-3-amine
CID 63946559
N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
CID 62604631
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630
N-[(3,5-difluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899776
N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 62605165
N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine
CID 62605169
2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide
CID 55094162
1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 62604981
1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 63476814
1-bromo-N-[(3,5-difluorophenyl)methyl]pentan-3-amine
CID 105409097
N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide
CID 62304575
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine (CID 62605156) is N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine is CCC(CC)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine?
The InChIKey is ZZEJQWLZQALKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-13(4-2)16-6-5-10-7-11(14)9-12(15)8-10/h7-9,13,16H,3-6H2,1-2H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine?
N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine has a molecular weight of 227.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine is sourced from PubChem (CID 62605156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).