1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine

C15H25BrN2O — CID 116721571

IUPAC1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)C(OCC)C(C)C
InChIInChI=1S/C15H25BrN2O/c1-5-17-14(15(11(3)4)19-6-2)9-13-8-7-12(16)10-18-13/h7-8,10-11,14-15,17H,5-6,9H2,1-4H3
InChIKeyUPWRQKRNRFJNCN-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.43
Rot. Bonds8

About 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine

1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine (PubChem CID 116721571) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
PubChem CID116721571
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)C(OCC)C(C)C
InChIInChI=1S/C15H25BrN2O/c1-5-17-14(15(11(3)4)19-6-2)9-13-8-7-12(16)10-18-13/h7-8,10-11,14-15,17H,5-6,9H2,1-4H3
InChIKeyUPWRQKRNRFJNCN-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
CID 104812013
1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312276
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116721524
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
CID 104802677
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 104801767
1-(3-bromo-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721392
N-ethyl-3,4-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-amine
CID 66447905
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 114932658
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802565
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 104801872

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine (CID 116721571) is 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine is CCNC(Cc1ccc(Br)cn1)C(OCC)C(C)C.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
The InChIKey is UPWRQKRNRFJNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-5-17-14(15(11(3)4)19-6-2)9-13-8-7-12(16)10-18-13/h7-8,10-11,14-15,17H,5-6,9H2,1-4H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine has a molecular weight of 329.28 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 116721571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).