N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine

C15H20F5N — CID 105028295

IUPACN,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H20F5N/c1-4-8(5-2)7-9(21-6-3)10-11(16)13(18)15(20)14(19)12(10)17/h8-9,21H,4-7H2,1-3H3
InChIKeyFAMZMZDFQKVTQH-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.86
Rot. Bonds7

About N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine

N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine (PubChem CID 105028295) has the molecular formula C15H20F5N and a molecular weight of 309.32 g/mol. Its IUPAC name is N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine
PubChem CID105028295
Molecular FormulaC15H20F5N
Molecular Weight309.32 g/mol
Exact Mass309.15
IUPAC NameN,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H20F5N/c1-4-8(5-2)7-9(21-6-3)10-11(16)13(18)15(20)14(19)12(10)17/h8-9,21H,4-7H2,1-3H3
InChIKeyFAMZMZDFQKVTQH-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methyl-1-(2,3,4,5,6-pentafluorophenyl)butan-1-amine
CID 115782628
N-ethyl-1-(2,3,4,5,6-pentafluorophenyl)but-3-yn-1-amine
CID 114977670
1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
CID 79522095
N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
CID 105039596
N,3-diethyl-1-(furan-2-yl)pentan-1-amine
CID 82922422
N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 82923467
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
CID 82920734
1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine
CID 82922197
N,3-diethyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105176670
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 82922285
N,3-diethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 105028432
1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028277

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine?
The IUPAC name of N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine (CID 105028295) is N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine?
The canonical SMILES for N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine is CCNC(CC(CC)CC)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine?
The InChIKey is FAMZMZDFQKVTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F5N/c1-4-8(5-2)7-9(21-6-3)10-11(16)13(18)15(20)14(19)12(10)17/h8-9,21H,4-7H2,1-3H3.
What are the key properties of N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine?
N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine has a molecular weight of 309.32 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine is sourced from PubChem (CID 105028295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).