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

C14H23BrN2O2 — CID 102928454

IUPAC1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
SMILESCCNC(CCOCCOC)Cc1cncc(Br)c1
InChIInChI=1S/C14H23BrN2O2/c1-3-17-14(4-5-19-7-6-18-2)9-12-8-13(15)11-16-10-12/h8,10-11,14,17H,3-7,9H2,1-2H3
InChIKeyKRFNHZPOFXQZLX-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.42
Rot. Bonds10

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

1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine (PubChem CID 102928454) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
PubChem CID102928454
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
SMILESCCNC(CCOCCOC)Cc1cncc(Br)c1
InChIInChI=1S/C14H23BrN2O2/c1-3-17-14(4-5-19-7-6-18-2)9-12-8-13(15)11-16-10-12/h8,10-11,14,17H,3-7,9H2,1-2H3
InChIKeyKRFNHZPOFXQZLX-UHFFFAOYSA-N
XLogP2.42
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105334758
4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
CID 104800074
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
1-(5-bromo-3-pyridinyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148756
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928424
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-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105181327
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102928394
1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine
CID 104804014

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine (CID 102928454) is 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine is CCNC(CCOCCOC)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine?
The InChIKey is KRFNHZPOFXQZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-3-17-14(4-5-19-7-6-18-2)9-12-8-13(15)11-16-10-12/h8,10-11,14,17H,3-7,9H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine?
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine has a molecular weight of 331.25 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine is sourced from PubChem (CID 102928454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).