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

C13H18F3N — CID 103302248

IUPAC2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine
SMILESCCC(CC)C(NC)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H18F3N/c1-4-8(5-2)13(17-3)9-6-11(15)12(16)7-10(9)14/h6-8,13,17H,4-5H2,1-3H3
InChIKeyMOIGKBJWBFGHNO-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.80
Rot. Bonds5

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

2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine (PubChem CID 103302248) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine
PubChem CID103302248
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine
SMILESCCC(CC)C(NC)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H18F3N/c1-4-8(5-2)13(17-3)9-6-11(15)12(16)7-10(9)14/h6-8,13,17H,4-5H2,1-3H3
InChIKeyMOIGKBJWBFGHNO-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.80
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

2-[(2,5-difluorophenyl)-(methylamino)methyl]butan-1-ol
CID 116959875
1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105397290
6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43487537
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
CID 62868133
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990589
1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 54880491
2-ethyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)butan-1-amine
CID 105013713
(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
CID 103304921
1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013762
1-(2-chloro-4,5-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 107476596
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine
CID 43484507

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine (CID 103302248) is 2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine is CCC(CC)C(NC)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine?
The InChIKey is MOIGKBJWBFGHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-4-8(5-2)13(17-3)9-6-11(15)12(16)7-10(9)14/h6-8,13,17H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine?
2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine is sourced from PubChem (CID 103302248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).