N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine

C14H20F3N — CID 115855168

IUPACN,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
SMILESCCNC(c1ccc(F)c(F)c1F)C(CC)CC
InChIInChI=1S/C14H20F3N/c1-4-9(5-2)14(18-6-3)10-7-8-11(15)13(17)12(10)16/h7-9,14,18H,4-6H2,1-3H3
InChIKeyAUWAOMHWFPHIOW-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.19
Rot. Bonds6

About N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine

N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine (PubChem CID 115855168) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
PubChem CID115855168
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
SMILESCCNC(c1ccc(F)c(F)c1F)C(CC)CC
InChIInChI=1S/C14H20F3N/c1-4-9(5-2)14(18-6-3)10-7-8-11(15)13(17)12(10)16/h7-9,14,18H,4-6H2,1-3H3
InChIKeyAUWAOMHWFPHIOW-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 62965296
1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 115862073
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine
CID 105305658
N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
CID 115827935
N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine
CID 79747552
1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine
CID 105027083
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63415395
N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 106692004
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62964463

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine?
The IUPAC name of N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine (CID 115855168) is N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine?
The canonical SMILES for N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine is CCNC(c1ccc(F)c(F)c1F)C(CC)CC.
What is the InChIKey of N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine?
The InChIKey is AUWAOMHWFPHIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-4-9(5-2)14(18-6-3)10-7-8-11(15)13(17)12(10)16/h7-9,14,18H,4-6H2,1-3H3.
What are the key properties of N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine?
N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine is sourced from PubChem (CID 115855168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).