N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine

C14H20F3N — CID 103302805

IUPACN-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine
SMILESCCNC(c1cc(F)c(F)cc1F)C(C)(C)CC
InChIInChI=1S/C14H20F3N/c1-5-14(3,4)13(18-6-2)9-7-11(16)12(17)8-10(9)15/h7-8,13,18H,5-6H2,1-4H3
InChIKeyNYACDEGFNXSOLB-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.19
Rot. Bonds5

About N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine

N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine (PubChem CID 103302805) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine
PubChem CID103302805
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine
SMILESCCNC(c1cc(F)c(F)cc1F)C(C)(C)CC
InChIInChI=1S/C14H20F3N/c1-5-14(3,4)13(18-6-2)9-7-11(16)12(17)8-10(9)15/h7-8,13,18H,5-6H2,1-4H3
InChIKeyNYACDEGFNXSOLB-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854210
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 106764707
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 62866754
1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43491007
1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 63508774
N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302801
1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 115851288
N-[(4-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302716
N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302765
N-ethyl-1-(2,4,5-trifluorophenyl)heptan-1-amine
CID 103302611
N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine
CID 103302785
1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 79725643

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine (CID 103302805) is N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine is CCNC(c1cc(F)c(F)cc1F)C(C)(C)CC.
What is the InChIKey of N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine?
The InChIKey is NYACDEGFNXSOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-5-14(3,4)13(18-6-2)9-7-11(16)12(17)8-10(9)15/h7-8,13,18H,5-6H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine?
N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine is sourced from PubChem (CID 103302805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).