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

C12H19BrN2O — CID 104800074

IUPAC4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
SMILESCCNC(CCc1cncc(Br)c1)COC
InChIInChI=1S/C12H19BrN2O/c1-3-15-12(9-16-2)5-4-10-6-11(13)8-14-7-10/h6-8,12,15H,3-5,9H2,1-2H3
InChIKeyXLLCIFMRVBLMEV-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.40
Rot. Bonds7

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

4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine (PubChem CID 104800074) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
PubChem CID104800074
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
SMILESCCNC(CCc1cncc(Br)c1)COC
InChIInChI=1S/C12H19BrN2O/c1-3-15-12(9-16-2)5-4-10-6-11(13)8-14-7-10/h6-8,12,15H,3-5,9H2,1-2H3
InChIKeyXLLCIFMRVBLMEV-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-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928454
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318913
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105181327
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
CID 104811963
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318544
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
3-(5-bromo-3-pyridinyl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 104803184
1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine
CID 104801827
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine (CID 104800074) is 4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine is CCNC(CCc1cncc(Br)c1)COC.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine?
The InChIKey is XLLCIFMRVBLMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-3-15-12(9-16-2)5-4-10-6-11(13)8-14-7-10/h6-8,12,15H,3-5,9H2,1-2H3.
What are the key properties of 4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine?
4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-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 4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine is sourced from PubChem (CID 104800074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).