(4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine

C17H18F3N — CID 65101153

IUPAC(4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C17H18F3N/c1-3-10(2)11-4-6-12(7-5-11)17(21)16-14(19)8-13(18)9-15(16)20/h4-10,17H,3,21H2,1-2H3
InChIKeyMCYXHKFFEHEVGM-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.67
Rot. Bonds4

About (4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine

(4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 65101153) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID65101153
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name(4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C17H18F3N/c1-3-10(2)11-4-6-12(7-5-11)17(21)16-14(19)8-13(18)9-15(16)20/h4-10,17H,3,21H2,1-2H3
InChIKeyMCYXHKFFEHEVGM-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198710
(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43124899
phenyl-(2,4,6-trifluorophenyl)methanamine
CID 43198681
1-butan-2-yl-4-fluorobenzene
CID 11829648
(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine
CID 62648688
(4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151193
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride
CID 171204882
1-bromo-4-[(2S)-butan-2-yl]-2-fluorobenzene
CID 153332149
1-[(4-butan-2-ylphenyl)-chloromethyl]-2,4-difluorobenzene
CID 63430296

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine (CID 65101153) is (4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine is CCC(C)c1ccc(C(N)c2c(F)cc(F)cc2F)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is MCYXHKFFEHEVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-3-10(2)11-4-6-12(7-5-11)17(21)16-14(19)8-13(18)9-15(16)20/h4-10,17H,3,21H2,1-2H3.
What are the key properties of (4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine?
(4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 293.33 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 65101153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).