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

C16H16F3N — CID 43198710

IUPAC(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C16H16F3N/c1-9(2)10-3-5-11(6-4-10)16(20)15-13(18)7-12(17)8-14(15)19/h3-9,16H,20H2,1-2H3
InChIKeyOOQTYYZYYUTQNI-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.28
Rot. Bonds3

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

(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 43198710) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID43198710
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C16H16F3N/c1-9(2)10-3-5-11(6-4-10)16(20)15-13(18)7-12(17)8-14(15)19/h3-9,16H,20H2,1-2H3
InChIKeyOOQTYYZYYUTQNI-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 65101153
(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43124899
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
phenyl-(2,4,6-trifluorophenyl)methanamine
CID 43198681
(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 62801900
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
CID 43198708
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 43198662
(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 104851108

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine (CID 43198710) is (4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine is CC(C)c1ccc(C(N)c2c(F)cc(F)cc2F)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is OOQTYYZYYUTQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-9(2)10-3-5-11(6-4-10)16(20)15-13(18)7-12(17)8-14(15)19/h3-9,16H,20H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine?
(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 279.31 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 43198710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).