1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C12H15BrF4N2O — CID 103475568

IUPAC1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCNC(COCC(F)(F)C(F)F)Cc1cncc(Br)c1
InChIInChI=1S/C12H15BrF4N2O/c1-18-10(3-8-2-9(13)5-19-4-8)6-20-7-12(16,17)11(14)15/h2,4-5,10-11,18H,3,6-7H2,1H3
InChIKeyHETAWPLKKPHGPA-UHFFFAOYSA-N
MW359.16 g/mol
LogP2.89
Rot. Bonds8

About 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475568) has the molecular formula C12H15BrF4N2O and a molecular weight of 359.16 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475568
Molecular FormulaC12H15BrF4N2O
Molecular Weight359.16 g/mol
Exact Mass358.03
IUPAC Name1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCNC(COCC(F)(F)C(F)F)Cc1cncc(Br)c1
InChIInChI=1S/C12H15BrF4N2O/c1-18-10(3-8-2-9(13)5-19-4-8)6-20-7-12(16,17)11(14)15/h2,4-5,10-11,18H,3,6-7H2,1H3
InChIKeyHETAWPLKKPHGPA-UHFFFAOYSA-N
XLogP2.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475617
1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475696
1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475554
1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475480
[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477886
1-(5-bromo-3-pyridinyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148756
1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine
CID 105036982
3-bromo-5-(2,2-difluoroethoxymethyl)pyridine
CID 104809944
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589548
1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216239
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475568) is 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CNC(COCC(F)(F)C(F)F)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is HETAWPLKKPHGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF4N2O/c1-18-10(3-8-2-9(13)5-19-4-8)6-20-7-12(16,17)11(14)15/h2,4-5,10-11,18H,3,6-7H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 359.16 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).