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

C16H20BrN3 — CID 105181259

IUPAC1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
SMILESCCNC(CCc1ccncc1)Cc1cncc(Br)c1
InChIInChI=1S/C16H20BrN3/c1-2-20-16(4-3-13-5-7-18-8-6-13)10-14-9-15(17)12-19-11-14/h5-9,11-12,16,20H,2-4,10H2,1H3
InChIKeySPQCQSWFRHHJSI-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.39
Rot. Bonds7

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

1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine (PubChem CID 105181259) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
PubChem CID105181259
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
SMILESCCNC(CCc1ccncc1)Cc1cncc(Br)c1
InChIInChI=1S/C16H20BrN3/c1-2-20-16(4-3-13-5-7-18-8-6-13)10-14-9-15(17)12-19-11-14/h5-9,11-12,16,20H,2-4,10H2,1H3
InChIKeySPQCQSWFRHHJSI-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105181327
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
CID 104800074
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
N,5-diethyl-1-pyridin-4-ylheptan-3-amine
CID 105176845
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928454
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091
1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine
CID 104801827
1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105101158
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
CID 104799912

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine (CID 105181259) is 1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine is CCNC(CCc1ccncc1)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The InChIKey is SPQCQSWFRHHJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-2-20-16(4-3-13-5-7-18-8-6-13)10-14-9-15(17)12-19-11-14/h5-9,11-12,16,20H,2-4,10H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine has a molecular weight of 334.26 g/mol, XLogP of 3.39, 7 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-ethyl-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 105181259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).