N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine

C13H18F3N — CID 65303811

IUPACN,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
SMILESCNCCC(C)CCc1c(F)cc(F)cc1F
InChIInChI=1S/C13H18F3N/c1-9(5-6-17-2)3-4-11-12(15)7-10(14)8-13(11)16/h7-9,17H,3-6H2,1-2H3
InChIKeyAHBXDYNMEYMWSA-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.28
Rot. Bonds6

About N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine

N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine (PubChem CID 65303811) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
PubChem CID65303811
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
SMILESCNCCC(C)CCc1c(F)cc(F)cc1F
InChIInChI=1S/C13H18F3N/c1-9(5-6-17-2)3-4-11-12(15)7-10(14)8-13(11)16/h7-9,17H,3-6H2,1-2H3
InChIKeyAHBXDYNMEYMWSA-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
The IUPAC name of N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine (CID 65303811) is N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine.
What is the SMILES notation for N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
The canonical SMILES for N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine is CNCCC(C)CCc1c(F)cc(F)cc1F.
What is the InChIKey of N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
The InChIKey is AHBXDYNMEYMWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-9(5-6-17-2)3-4-11-12(15)7-10(14)8-13(11)16/h7-9,17H,3-6H2,1-2H3.
What are the key properties of N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine is sourced from PubChem (CID 65303811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).