2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline

C16H15F4N — CID 43772833

IUPAC2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
SMILESCc1ccc(F)c(NC(CC(F)(F)F)c2ccccc2)c1
InChIInChI=1S/C16H15F4N/c1-11-7-8-13(17)14(9-11)21-15(10-16(18,19)20)12-5-3-2-4-6-12/h2-9,15,21H,10H2,1H3
InChIKeyHUOLKDKBBGEKEK-UHFFFAOYSA-N
MW297.30 g/mol
LogP5.24
Rot. Bonds4

About 2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline

2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline (PubChem CID 43772833) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
PubChem CID43772833
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
SMILESCc1ccc(F)c(NC(CC(F)(F)F)c2ccccc2)c1
InChIInChI=1S/C16H15F4N/c1-11-7-8-13(17)14(9-11)21-15(10-16(18,19)20)12-5-3-2-4-6-12/h2-9,15,21H,10H2,1H3
InChIKeyHUOLKDKBBGEKEK-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.30
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-2-fluoro-5-methylaniline
CID 43772832
4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43765835
4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43764950
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235
2-chloro-4-fluoro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43774052
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
2,5-difluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43108541
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
2-fluoro-4-methyl-N-(1-phenylethyl)aniline
CID 43088352

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline (CID 43772833) is 2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline is Cc1ccc(F)c(NC(CC(F)(F)F)c2ccccc2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The InChIKey is HUOLKDKBBGEKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-11-7-8-13(17)14(9-11)21-15(10-16(18,19)20)12-5-3-2-4-6-12/h2-9,15,21H,10H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline has a molecular weight of 297.30 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline is sourced from PubChem (CID 43772833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).