5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine

C15H22BrF3N2 — CID 106796286

IUPAC5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCC(C)(C)CNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H22BrF3N2/c1-4-5-6-7-14(2,3)10-21-13-12(15(17,18)19)8-11(16)9-20-13/h8-9H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyFNFRLKKDTSQZSK-UHFFFAOYSA-N
MW367.25 g/mol
LogP5.88
Rot. Bonds7

About 5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796286) has the molecular formula C15H22BrF3N2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796286
Molecular FormulaC15H22BrF3N2
Molecular Weight367.25 g/mol
Exact Mass366.09
IUPAC Name5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCC(C)(C)CNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H22BrF3N2/c1-4-5-6-7-14(2,3)10-21-13-12(15(17,18)19)8-11(16)9-20-13/h8-9H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyFNFRLKKDTSQZSK-UHFFFAOYSA-N
XLogP5.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.25
LogP ≤ 55.88
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

5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796138
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N',N'-diethylpropane-1,3-diamine
CID 106795932
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 106797276
3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine
CID 106141963
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796361
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107153440
5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795999
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796286) is 5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine is CCCCCC(C)(C)CNc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FNFRLKKDTSQZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF3N2/c1-4-5-6-7-14(2,3)10-21-13-12(15(17,18)19)8-11(16)9-20-13/h8-9H,4-7,10H2,1-3H3,(H,20,21).
What are the key properties of 5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 367.25 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).