N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine

C15H14ClF3N2 — CID 166626066

IUPACN-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C15H14ClF3N2/c16-12-5-3-11(4-6-12)2-1-8-20-13-7-9-21-14(10-13)15(17,18)19/h3-7,9-10H,1-2,8H2,(H,20,21)
InChIKeyGAVMRBNFCFZVLI-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.80
Rot. Bonds5

About N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine

N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 166626066) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID166626066
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC NameN-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C15H14ClF3N2/c16-12-5-3-11(4-6-12)2-1-8-20-13-7-9-21-14(10-13)15(17,18)19/h3-7,9-10H,1-2,8H2,(H,20,21)
InChIKeyGAVMRBNFCFZVLI-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.80
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine (CID 166626066) is N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(NCCCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is GAVMRBNFCFZVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c16-12-5-3-11(4-6-12)2-1-8-20-13-7-9-21-14(10-13)15(17,18)19/h3-7,9-10H,1-2,8H2,(H,20,21).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 314.74 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 166626066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).