1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine

C17H20BrClN2 — CID 105014661

IUPAC1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(CC)cn1)c1cccc(Br)c1Cl
InChIInChI=1S/C17H20BrClN2/c1-3-12-8-9-13(21-11-12)10-16(20-4-2)14-6-5-7-15(18)17(14)19/h5-9,11,16,20H,3-4,10H2,1-2H3
InChIKeyOMFYUTIOPAYYQQ-UHFFFAOYSA-N
MW367.72 g/mol
LogP4.95
Rot. Bonds6

About 1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine

1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine (PubChem CID 105014661) has the molecular formula C17H20BrClN2 and a molecular weight of 367.72 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
PubChem CID105014661
Molecular FormulaC17H20BrClN2
Molecular Weight367.72 g/mol
Exact Mass366.05
IUPAC Name1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(CC)cn1)c1cccc(Br)c1Cl
InChIInChI=1S/C17H20BrClN2/c1-3-12-8-9-13(21-11-12)10-16(20-4-2)14-6-5-7-15(18)17(14)19/h5-9,11,16,20H,3-4,10H2,1-2H3
InChIKeyOMFYUTIOPAYYQQ-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.72
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014457
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81454622
N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 79748137
N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine
CID 79745845
1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999176
1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 107994454
1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 63417123
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79740670
N-[2-(5-ethyl-2-pyridinyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105168926
N-[1-(2-chlorofuran-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 106692662
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79747878
1-(3-bromo-2-chlorophenyl)-N-ethylhex-4-yn-1-amine
CID 105037408

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine (CID 105014661) is 1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine is CCNC(Cc1ccc(CC)cn1)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine?
The InChIKey is OMFYUTIOPAYYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2/c1-3-12-8-9-13(21-11-12)10-16(20-4-2)14-6-5-7-15(18)17(14)19/h5-9,11,16,20H,3-4,10H2,1-2H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine?
1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine has a molecular weight of 367.72 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 105014661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).