N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine

C16H18BrClN2 — CID 104801058

IUPACN-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18BrClN2/c1-2-7-20-16(13-3-5-15(18)6-4-13)9-12-8-14(17)11-19-10-12/h3-6,8,10-11,16,20H,2,7,9H2,1H3
InChIKeyGMNZASKEOJXFON-UHFFFAOYSA-N
MW353.69 g/mol
LogP4.78
Rot. Bonds6

About N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine

N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine (PubChem CID 104801058) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
PubChem CID104801058
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC NameN-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18BrClN2/c1-2-7-20-16(13-3-5-15(18)6-4-13)9-12-8-14(17)11-19-10-12/h3-6,8,10-11,16,20H,2,7,9H2,1H3
InChIKeyGMNZASKEOJXFON-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 104803602
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105036667
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
N-[1-(4-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 103039790
N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 104801443
N-[2-(5-bromo-3-pyridinyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 104802078
N-[2-(5-bromo-3-pyridinyl)-1-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 104801776
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine
CID 104803750
N-[1-(3-bromo-2-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
CID 107953643

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine (CID 104801058) is N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cncc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine?
The InChIKey is GMNZASKEOJXFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-2-7-20-16(13-3-5-15(18)6-4-13)9-12-8-14(17)11-19-10-12/h3-6,8,10-11,16,20H,2,7,9H2,1H3.
What are the key properties of N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine?
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine has a molecular weight of 353.69 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 104801058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).