N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine

C17H18F3N — CID 43483247

IUPACN-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1c(F)cc(F)cc1F
InChIInChI=1S/C17H18F3N/c1-3-13(11-7-5-4-6-8-11)17(21-2)16-14(19)9-12(18)10-15(16)20/h4-10,13,17,21H,3H2,1-2H3
InChIKeyNYZWXOOBCOQCBM-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.56
Rot. Bonds5

About N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine

N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine (PubChem CID 43483247) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine
PubChem CID43483247
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1c(F)cc(F)cc1F
InChIInChI=1S/C17H18F3N/c1-3-13(11-7-5-4-6-8-11)17(21-2)16-14(19)9-12(18)10-15(16)20/h4-10,13,17,21H,3H2,1-2H3
InChIKeyNYZWXOOBCOQCBM-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine
CID 105016444
1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine
CID 43485711
[1-(2-fluoro-4,6-dimethylphenyl)-2-phenylbutyl]hydrazine
CID 106884498
1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 106647998
1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 80534954
1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 105044033
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130
1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 105055608
1-(2-ethylpyrazol-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 115858001
2-[(3-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959736
1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 115839364

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine?
The IUPAC name of N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine (CID 43483247) is N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine.
What is the SMILES notation for N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine?
The canonical SMILES for N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine is CCC(c1ccccc1)C(NC)c1c(F)cc(F)cc1F.
What is the InChIKey of N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine?
The InChIKey is NYZWXOOBCOQCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-3-13(11-7-5-4-6-8-11)17(21-2)16-14(19)9-12(18)10-15(16)20/h4-10,13,17,21H,3H2,1-2H3.
What are the key properties of N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine?
N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine has a molecular weight of 293.33 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine is sourced from PubChem (CID 43483247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).