2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline

C16H15F4N — CID 63462918

IUPAC2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
SMILESFc1ccc(C(F)(F)F)cc1NCCCc1ccccc1
InChIInChI=1S/C16H15F4N/c17-14-9-8-13(16(18,19)20)11-15(14)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,21H,4,7,10H2
InChIKeyYUEWCAQCDUXIMX-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.89
Rot. Bonds5

About 2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline

2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline (PubChem CID 63462918) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
PubChem CID63462918
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
SMILESFc1ccc(C(F)(F)F)cc1NCCCc1ccccc1
InChIInChI=1S/C16H15F4N/c17-14-9-8-13(16(18,19)20)11-15(14)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,21H,4,7,10H2
InChIKeyYUEWCAQCDUXIMX-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
CID 28877675
2,4,5-trifluoro-N-(3-phenylpropyl)aniline
CID 55118204
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
CID 86886800
4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
CID 63036135
N-[3-[4-(trifluoromethyl)phenyl]propyl]aniline;hydrochloride
CID 69042120
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide
CID 134093579
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(trifluoromethyl)aniline
CID 103409498
methyl 4-[2-fluoro-5-(trifluoromethyl)anilino]butanoate
CID 55145548
2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931336
4-bromo-N-(3-phenylpropyl)-2-(trifluoromethyl)aniline
CID 60792367

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline (CID 63462918) is 2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline is Fc1ccc(C(F)(F)F)cc1NCCCc1ccccc1.
What is the InChIKey of 2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline?
The InChIKey is YUEWCAQCDUXIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c17-14-9-8-13(16(18,19)20)11-15(14)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,21H,4,7,10H2.
What are the key properties of 2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline?
2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline has a molecular weight of 297.30 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63462918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).