1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine

C12H19BrN2O — CID 104802677

IUPAC1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(COCC)Cc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2O/c1-3-14-12(9-16-4-2)7-11-6-5-10(13)8-15-11/h5-6,8,12,14H,3-4,7,9H2,1-2H3
InChIKeySWJWRLJBIWYBDF-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.40
Rot. Bonds7

About 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine

1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine (PubChem CID 104802677) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
PubChem CID104802677
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(COCC)Cc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2O/c1-3-14-12(9-16-4-2)7-11-6-5-10(13)8-15-11/h5-6,8,12,14H,3-4,7,9H2,1-2H3
InChIKeySWJWRLJBIWYBDF-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 104801767
1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103169483
1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 105036122
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721571
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 104801872
1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
CID 105036409
[1-(5-bromo-2-pyridinyl)-3-methoxypropan-2-yl]hydrazine
CID 105207194
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105180924
1-(5-bromo-2-pyridinyl)-N-methyl-4-propoxybutan-2-amine
CID 105180890
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312276
1-(5-bromo-2-pyridinyl)-3-(3-ethoxycyclobutyl)-N-propylpropan-2-amine
CID 103169479

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine (CID 104802677) is 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine is CCNC(COCC)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine?
The InChIKey is SWJWRLJBIWYBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-3-14-12(9-16-4-2)7-11-6-5-10(13)8-15-11/h5-6,8,12,14H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine?
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine has a molecular weight of 287.20 g/mol, XLogP of 2.40, 7 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-ethylpropan-2-amine is sourced from PubChem (CID 104802677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).