2,4,5-trifluoro-N-(3-phenylpropyl)aniline

C15H14F3N — CID 55118204

IUPAC2,4,5-trifluoro-N-(3-phenylpropyl)aniline
SMILESFc1cc(F)c(NCCCc2ccccc2)cc1F
InChIInChI=1S/C15H14F3N/c16-12-9-14(18)15(10-13(12)17)19-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,19H,4,7-8H2
InChIKeyHHPHZPPYEXBUKR-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.15
Rot. Bonds5

About 2,4,5-trifluoro-N-(3-phenylpropyl)aniline

2,4,5-trifluoro-N-(3-phenylpropyl)aniline (PubChem CID 55118204) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name2,4,5-trifluoro-N-(3-phenylpropyl)aniline
PubChem CID55118204
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2,4,5-trifluoro-N-(3-phenylpropyl)aniline
SMILESFc1cc(F)c(NCCCc2ccccc2)cc1F
InChIInChI=1S/C15H14F3N/c16-12-9-14(18)15(10-13(12)17)19-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,19H,4,7-8H2
InChIKeyHHPHZPPYEXBUKR-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931336
2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
CID 28877675
2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
CID 63462918
2,5-dichloro-N-(3-phenylpropyl)aniline
CID 29049060
2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
CID 63265128
2,6-difluoro-N-(4-phenylbutyl)aniline
CID 114333174
2-chloro-5-fluoro-N-(4-phenylbutyl)aniline
CID 107528122
3,5-difluoro-4-(3-phenylpropylamino)benzoic acid
CID 63187020
5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine
CID 57304558
N-[3-(4-fluorophenyl)propyl]aniline
CID 91405958
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
2-tert-butyl-N-(3-phenylpropyl)aniline
CID 39366741

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-(3-phenylpropyl)aniline?
The IUPAC name of 2,4,5-trifluoro-N-(3-phenylpropyl)aniline (CID 55118204) is 2,4,5-trifluoro-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 2,4,5-trifluoro-N-(3-phenylpropyl)aniline?
The canonical SMILES for 2,4,5-trifluoro-N-(3-phenylpropyl)aniline is Fc1cc(F)c(NCCCc2ccccc2)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-(3-phenylpropyl)aniline?
The InChIKey is HHPHZPPYEXBUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c16-12-9-14(18)15(10-13(12)17)19-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,19H,4,7-8H2.
What are the key properties of 2,4,5-trifluoro-N-(3-phenylpropyl)aniline?
2,4,5-trifluoro-N-(3-phenylpropyl)aniline has a molecular weight of 265.28 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 55118204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).