N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine

C14H16F5N — CID 105039596

IUPACN-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H16F5N/c1-4-20-8(6-5-7(2)3)9-10(15)12(17)14(19)13(18)11(9)16/h8,20H,2,4-6H2,1,3H3
InChIKeyPAJIEDHVDUGDHU-UHFFFAOYSA-N
MW293.28 g/mol
LogP4.39
Rot. Bonds6

About N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine

N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine (PubChem CID 105039596) has the molecular formula C14H16F5N and a molecular weight of 293.28 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
PubChem CID105039596
Molecular FormulaC14H16F5N
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC NameN-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H16F5N/c1-4-20-8(6-5-7(2)3)9-10(15)12(17)14(19)13(18)11(9)16/h8,20H,2,4-6H2,1,3H3
InChIKeyPAJIEDHVDUGDHU-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.39
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039592
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
N-ethyl-3-methyl-1-(2,3,4,5,6-pentafluorophenyl)butan-1-amine
CID 115782628
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine
CID 114475641
N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
CID 105039440
1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
CID 105182656
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
N,3-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-amine
CID 105028295
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039626
N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
CID 105039269
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine (CID 105039596) is N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine is C=C(C)CCC(NCC)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine?
The InChIKey is PAJIEDHVDUGDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5N/c1-4-20-8(6-5-7(2)3)9-10(15)12(17)14(19)13(18)11(9)16/h8,20H,2,4-6H2,1,3H3.
What are the key properties of N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine?
N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine has a molecular weight of 293.28 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine is sourced from PubChem (CID 105039596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).