N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine

C14H20F3N — CID 103304826

IUPACN-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
SMILESCC(C)NCCCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H20F3N/c1-10(2)18-7-5-3-4-6-11-8-13(16)14(17)9-12(11)15/h8-10,18H,3-7H2,1-2H3
InChIKeyZBOWZZGORYVJJA-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.81
Rot. Bonds7

About N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine

N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine (PubChem CID 103304826) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
PubChem CID103304826
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
SMILESCC(C)NCCCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H20F3N/c1-10(2)18-7-5-3-4-6-11-8-13(16)14(17)9-12(11)15/h8-10,18H,3-7H2,1-2H3
InChIKeyZBOWZZGORYVJJA-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine?
The IUPAC name of N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine (CID 103304826) is N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine.
What is the SMILES notation for N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine?
The canonical SMILES for N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine is CC(C)NCCCCCc1cc(F)c(F)cc1F.
What is the InChIKey of N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine?
The InChIKey is ZBOWZZGORYVJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-10(2)18-7-5-3-4-6-11-8-13(16)14(17)9-12(11)15/h8-10,18H,3-7H2,1-2H3.
What are the key properties of N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine?
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine is sourced from PubChem (CID 103304826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).