2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine

C14H16BrN3 — CID 105089518

IUPAC2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccnnc1
InChIInChI=1S/C14H16BrN3/c1-2-16-14(12-6-7-17-18-10-12)9-11-4-3-5-13(15)8-11/h3-8,10,14,16H,2,9H2,1H3
InChIKeySAJHZWNWJMAHRJ-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.13
Rot. Bonds5

About 2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine

2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine (PubChem CID 105089518) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
PubChem CID105089518
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccnnc1
InChIInChI=1S/C14H16BrN3/c1-2-16-14(12-6-7-17-18-10-12)9-11-4-3-5-13(15)8-11/h3-8,10,14,16H,2,9H2,1H3
InChIKeySAJHZWNWJMAHRJ-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 62491546
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
CID 63509459
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 60818969
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine (CID 105089518) is 2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine is CCNC(Cc1cccc(Br)c1)c1ccnnc1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
The InChIKey is SAJHZWNWJMAHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-16-14(12-6-7-17-18-10-12)9-11-4-3-5-13(15)8-11/h3-8,10,14,16H,2,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine has a molecular weight of 306.21 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine is sourced from PubChem (CID 105089518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).