1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine

C14H14F3N3 — CID 43524031

IUPAC1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCC(Nc1ccc(C(F)(F)F)cc1N)c1ccncc1
InChIInChI=1S/C14H14F3N3/c1-9(10-4-6-19-7-5-10)20-13-3-2-11(8-12(13)18)14(15,16)17/h2-9,20H,18H2,1H3
InChIKeyUZUTZNYXNGPRIP-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.86
Rot. Bonds3

About 1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine

1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 43524031) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID43524031
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCC(Nc1ccc(C(F)(F)F)cc1N)c1ccncc1
InChIInChI=1S/C14H14F3N3/c1-9(10-4-6-19-7-5-10)20-13-3-2-11(8-12(13)18)14(15,16)17/h2-9,20H,18H2,1H3
InChIKeyUZUTZNYXNGPRIP-UHFFFAOYSA-N
XLogP3.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106217098
N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328268
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43202288
4-(1-pyridin-4-ylethylamino)-3-(trifluoromethyl)benzonitrile
CID 43687076
4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 63592232
ethyl 2-[2-amino-4-(trifluoromethyl)anilino]propanoate
CID 61498205
2,4-dimethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43189781
2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43192512
4-N-[1-(4-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54965311
4-(trifluoromethyl)-1-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142987
1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61475029
5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile
CID 61297293

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine (CID 43524031) is 1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine is CC(Nc1ccc(C(F)(F)F)cc1N)c1ccncc1.
What is the InChIKey of 1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is UZUTZNYXNGPRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9(10-4-6-19-7-5-10)20-13-3-2-11(8-12(13)18)14(15,16)17/h2-9,20H,18H2,1H3.
What are the key properties of 1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 281.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 43524031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).