N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine

C11H14BrF3N2 — CID 80671024

IUPACN-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N(CCBr)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H14BrF3N2/c1-8(2)17(6-4-12)10-7-9(3-5-16-10)11(13,14)15/h3,5,7-8H,4,6H2,1-2H3
InChIKeyWDTREYNGENXAJJ-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.71
Rot. Bonds4

About N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine

N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 80671024) has the molecular formula C11H14BrF3N2 and a molecular weight of 311.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID80671024
Molecular FormulaC11H14BrF3N2
Molecular Weight311.15 g/mol
Exact Mass310.03
IUPAC NameN-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N(CCBr)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H14BrF3N2/c1-8(2)17(6-4-12)10-7-9(3-5-16-10)11(13,14)15/h3,5,7-8H,4,6H2,1-2H3
InChIKeyWDTREYNGENXAJJ-UHFFFAOYSA-N
XLogP3.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[propan-2-yl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 66328661
N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 107205276
3-[ethyl-[4-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 66329427
N-(2-bromoethyl)-3-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 80670303
N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 80671883
N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 66328118
2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 66330070
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80670472
2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine
CID 66330684
N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 77126126
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 66328057
3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 61146387

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine (CID 80671024) is N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine is CC(C)N(CCBr)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WDTREYNGENXAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2/c1-8(2)17(6-4-12)10-7-9(3-5-16-10)11(13,14)15/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine?
N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 311.15 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-propan-2-yl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 80671024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).