5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine

C15H14BrF3N2 — CID 106795999

IUPAC5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCCc1ccccc1
InChIInChI=1S/C15H14BrF3N2/c16-12-9-13(15(17,18)19)14(21-10-12)20-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,20,21)
InChIKeyXINGCUUSPREDNU-UHFFFAOYSA-N
MW359.19 g/mol
LogP4.91
Rot. Bonds5

About 5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106795999) has the molecular formula C15H14BrF3N2 and a molecular weight of 359.19 g/mol. Its IUPAC name is 5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106795999
Molecular FormulaC15H14BrF3N2
Molecular Weight359.19 g/mol
Exact Mass358.03
IUPAC Name5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCCc1ccccc1
InChIInChI=1S/C15H14BrF3N2/c16-12-9-13(15(17,18)19)14(21-10-12)20-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,20,21)
InChIKeyXINGCUUSPREDNU-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796142
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
5-bromo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796222
4-bromo-N-(3-phenylpropyl)-2-(trifluoromethyl)aniline
CID 60792367
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N',N'-diethylpropane-1,3-diamine
CID 106795932
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106795999) is 5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NCCCc1ccccc1.
What is the InChIKey of 5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XINGCUUSPREDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2/c16-12-9-13(15(17,18)19)14(21-10-12)20-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,20,21).
What are the key properties of 5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 359.19 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106795999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).