N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline

C16H16F3N — CID 15399389

IUPACN-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
SMILESCCC(Nc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N/c1-2-15(20-12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17,18)19/h3-11,15,20H,2H2,1H3
InChIKeyJLQQGHISTZZPIA-UHFFFAOYSA-N
MW279.31 g/mol
LogP5.27
Rot. Bonds4

About N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline

N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline (PubChem CID 15399389) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
PubChem CID15399389
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
SMILESCCC(Nc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N/c1-2-15(20-12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17,18)19/h3-11,15,20H,2H2,1H3
InChIKeyJLQQGHISTZZPIA-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.31
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377278
4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline
CID 63455924
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128452
3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 104994854
3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 103026863
4-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43321630
N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128216

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline?
The IUPAC name of N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline (CID 15399389) is N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline.
What is the SMILES notation for N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline?
The canonical SMILES for N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline is CCC(Nc1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline?
The InChIKey is JLQQGHISTZZPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-2-15(20-12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17,18)19/h3-11,15,20H,2H2,1H3.
What are the key properties of N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline?
N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline has a molecular weight of 279.31 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline is sourced from PubChem (CID 15399389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).