2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine

C15H16BrClN2 — CID 105089739

IUPAC2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccncc1Cl
InChIInChI=1S/C15H16BrClN2/c1-2-19-15(13-6-7-18-10-14(13)17)9-11-4-3-5-12(16)8-11/h3-8,10,15,19H,2,9H2,1H3
InChIKeyBRQQCUOXUSOHFK-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.39
Rot. Bonds5

About 2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine

2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine (PubChem CID 105089739) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
PubChem CID105089739
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccncc1Cl
InChIInChI=1S/C15H16BrClN2/c1-2-19-15(13-6-7-18-10-14(13)17)9-11-4-3-5-12(16)8-11/h3-8,10,15,19H,2,9H2,1H3
InChIKeyBRQQCUOXUSOHFK-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 62491546
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114648016
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105089518
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine (CID 105089739) is 2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine is CCNC(Cc1cccc(Br)c1)c1ccncc1Cl.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The InChIKey is BRQQCUOXUSOHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-2-19-15(13-6-7-18-10-14(13)17)9-11-4-3-5-12(16)8-11/h3-8,10,15,19H,2,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine?
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine has a molecular weight of 339.66 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 105089739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).