N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine

C14H11BrClF3N2 — CID 102715658

IUPACN-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClF3N2/c1-8(9-2-4-11(15)5-3-9)20-13-7-10(14(17,18)19)6-12(16)21-13/h2-8H,1H3,(H,20,21)
InChIKeyRJCSKFXEOUGYAB-UHFFFAOYSA-N
MW379.61 g/mol
LogP5.69
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine

N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715658) has the molecular formula C14H11BrClF3N2 and a molecular weight of 379.61 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715658
Molecular FormulaC14H11BrClF3N2
Molecular Weight379.61 g/mol
Exact Mass377.97
IUPAC NameN-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClF3N2/c1-8(9-2-4-11(15)5-3-9)20-13-7-10(14(17,18)19)6-12(16)21-13/h2-8H,1H3,(H,20,21)
InChIKeyRJCSKFXEOUGYAB-UHFFFAOYSA-N
XLogP5.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.61
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-N-[1-(4-bromophenyl)ethyl]-6-chloropyridine-2,4-diamine
CID 104924061
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331036
N-[(1S)-1-(4-bromophenyl)ethyl]-6-chloropyrazin-2-amine
CID 58934266
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
6-chloro-N-pentan-2-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102715439
6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715652
2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717290
methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 97136425
6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715636
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55112715
N-[1-(4-bromophenyl)ethyl]-2-chloropyrimidin-4-amine
CID 62342465

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine (CID 102715658) is N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine is CC(Nc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RJCSKFXEOUGYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF3N2/c1-8(9-2-4-11(15)5-3-9)20-13-7-10(14(17,18)19)6-12(16)21-13/h2-8H,1H3,(H,20,21).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 379.61 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).