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

C15H23F2N — CID 62605165

IUPACN-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N/c1-11(2)4-5-12(3)18-7-6-13-8-14(16)10-15(17)9-13/h8-12,18H,4-7H2,1-3H3
InChIKeyOEONICPGFQZOOD-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.92
Rot. Bonds7

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

N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine (PubChem CID 62605165) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine
PubChem CID62605165
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N/c1-11(2)4-5-12(3)18-7-6-13-8-14(16)10-15(17)9-13/h8-12,18H,4-7H2,1-3H3
InChIKeyOEONICPGFQZOOD-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630
N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine
CID 62605169
2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
CID 62604631
N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine
CID 62605156
N-[(3,5-difluorophenyl)methyl]-3-methylbutan-1-amine
CID 21355559
N-[2-(3,5-difluorophenyl)ethyl]heptan-3-amine
CID 63946559
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-[2-(3,5-difluorophenyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110921193

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine (CID 62605165) is N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine?
The InChIKey is OEONICPGFQZOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-11(2)4-5-12(3)18-7-6-13-8-14(16)10-15(17)9-13/h8-12,18H,4-7H2,1-3H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine?
N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.92, 7 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]-5-methylhexan-2-amine is sourced from PubChem (CID 62605165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).