2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline

C16H16F3NO — CID 43759509

IUPAC2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1ccc(F)c(F)c1F)c1ccccc1OC
InChIInChI=1S/C16H16F3NO/c1-3-12(10-6-4-5-7-14(10)21-2)20-13-9-8-11(17)15(18)16(13)19/h4-9,12,20H,3H2,1-2H3
InChIKeyIZNNHVAAPQKGSJ-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.68
Rot. Bonds5

About 2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline

2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline (PubChem CID 43759509) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline
PubChem CID43759509
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1ccc(F)c(F)c1F)c1ccccc1OC
InChIInChI=1S/C16H16F3NO/c1-3-12(10-6-4-5-7-14(10)21-2)20-13-9-8-11(17)15(18)16(13)19/h4-9,12,20H,3H2,1-2H3
InChIKeyIZNNHVAAPQKGSJ-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773957
4-chloro-2-iodo-N-[1-(2-methoxyphenyl)propyl]aniline
CID 107631818
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
[2-[1-(2-methoxyphenyl)propylamino]phenyl]methanol
CID 43790484
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43786118
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline
CID 82761842
N-[1-(2-methoxyphenyl)propyl]-1,3-dimethylpyrazol-4-amine
CID 104955928
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773726
2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43192515

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
The IUPAC name of 2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline (CID 43759509) is 2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
The canonical SMILES for 2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline is CCC(Nc1ccc(F)c(F)c1F)c1ccccc1OC.
What is the InChIKey of 2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
The InChIKey is IZNNHVAAPQKGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-3-12(10-6-4-5-7-14(10)21-2)20-13-9-8-11(17)15(18)16(13)19/h4-9,12,20H,3H2,1-2H3.
What are the key properties of 2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline has a molecular weight of 295.30 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline is sourced from PubChem (CID 43759509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).