(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine

C16H16F3N — CID 62801900

IUPAC(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C16H16F3N/c1-9(2)10-3-5-11(6-4-10)16(20)12-7-13(17)15(19)14(18)8-12/h3-9,16H,20H2,1-2H3
InChIKeyBXVOFWVUEXIXGL-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.28
Rot. Bonds3

About (4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine

(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine (PubChem CID 62801900) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine
PubChem CID62801900
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C16H16F3N/c1-9(2)10-3-5-11(6-4-10)16(20)12-7-13(17)15(19)14(18)8-12/h3-9,16H,20H2,1-2H3
InChIKeyBXVOFWVUEXIXGL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198710
cumene;1-fluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 159517026
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
1-(2,3-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288734
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
CID 175772829
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine
CID 138032113
(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 63185829

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of (4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine (CID 62801900) is (4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine is CC(C)c1ccc(C(N)c2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is BXVOFWVUEXIXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-9(2)10-3-5-11(6-4-10)16(20)12-7-13(17)15(19)14(18)8-12/h3-9,16H,20H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine?
(4-propan-2-ylphenyl)-(3,4,5-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)-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 62801900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).