N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine

C13H12F3N3 — CID 66328268

IUPACN-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cc(C(F)(F)F)ccn1)c1ccncc1
InChIInChI=1S/C13H12F3N3/c1-9(10-2-5-17-6-3-10)19-12-8-11(4-7-18-12)13(14,15)16/h2-9H,1H3,(H,18,19)
InChIKeyBOXHTKVGWBSEQV-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.67
Rot. Bonds3

About N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine

N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66328268) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66328268
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cc(C(F)(F)F)ccn1)c1ccncc1
InChIInChI=1S/C13H12F3N3/c1-9(10-2-5-17-6-3-10)19-12-8-11(4-7-18-12)13(14,15)16/h2-9H,1H3,(H,18,19)
InChIKeyBOXHTKVGWBSEQV-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331036
N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331013
N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330449
1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 43524031
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43202288
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
CID 114176396
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
N-(1-pyridin-4-ylethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82812363
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 66328268) is N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine is CC(Nc1cc(C(F)(F)F)ccn1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BOXHTKVGWBSEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-9(10-2-5-17-6-3-10)19-12-8-11(4-7-18-12)13(14,15)16/h2-9H,1H3,(H,18,19).
What are the key properties of N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 267.25 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66328268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).