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

C15H15F3N2 — CID 60631694

IUPACN-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C15H15F3N2/c16-15(17,18)13-8-9-14(20-11-13)19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)
InChIKeyTUIHKAUBHXHPGA-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.15
Rot. Bonds5

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

N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60631694) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60631694
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C15H15F3N2/c16-15(17,18)13-8-9-14(20-11-13)19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)
InChIKeyTUIHKAUBHXHPGA-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.15
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

N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
N-(2-pyridin-3-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60732313
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
1-benzyl-2-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 110953159
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
CID 47083315
2,3,5-trimethyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclohexa-2,5-diene-1,4-dione
CID 67069252
N-[3-[4-(trifluoromethyl)phenyl]propyl]aniline;hydrochloride
CID 69042120
4-N-(3-phenylpropyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899309
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 47299073

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine (CID 60631694) is N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCCCc2ccccc2)nc1.
What is the InChIKey of N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is TUIHKAUBHXHPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c16-15(17,18)13-8-9-14(20-11-13)19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20).
What are the key properties of N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 280.29 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60631694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).