N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline

C16H16F3N — CID 129164288

IUPACN-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline
SMILESCC(C)Nc1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3N/c1-11(2)20-13-7-5-6-12(10-13)14-8-3-4-9-15(14)16(17,18)19/h3-11,20H,1-2H3
InChIKeyZDZMEZBDVPEUJA-UHFFFAOYSA-N
MW279.31 g/mol
LogP5.19
Rot. Bonds3

About N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline

N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline (PubChem CID 129164288) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound NameN-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline
PubChem CID129164288
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline
SMILESCC(C)Nc1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3N/c1-11(2)20-13-7-5-6-12(10-13)14-8-3-4-9-15(14)16(17,18)19/h3-11,20H,1-2H3
InChIKeyZDZMEZBDVPEUJA-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.31
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride
CID 171157644
N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine
CID 90753067
4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099199
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 142590107
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide
CID 125172341
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 55154372
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
2-methyl-4-[2-(trifluoromethyl)phenyl]phenol
CID 53219065

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline?
The IUPAC name of N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline (CID 129164288) is N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline is CC(C)Nc1cccc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline?
The InChIKey is ZDZMEZBDVPEUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-11(2)20-13-7-5-6-12(10-13)14-8-3-4-9-15(14)16(17,18)19/h3-11,20H,1-2H3.
What are the key properties of N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline?
N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline has a molecular weight of 279.31 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 129164288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).