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

C16H17BrCl2N2 — CID 104803602

IUPACN-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17BrCl2N2/c1-2-5-21-16(7-11-6-13(17)10-20-9-11)12-3-4-14(18)15(19)8-12/h3-4,6,8-10,16,21H,2,5,7H2,1H3
InChIKeyGUWYMJWHWWSJCA-UHFFFAOYSA-N
MW388.14 g/mol
LogP5.43
Rot. Bonds6

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

N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine (PubChem CID 104803602) has the molecular formula C16H17BrCl2N2 and a molecular weight of 388.14 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
PubChem CID104803602
Molecular FormulaC16H17BrCl2N2
Molecular Weight388.14 g/mol
Exact Mass386.00
IUPAC NameN-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17BrCl2N2/c1-2-5-21-16(7-11-6-13(17)10-20-9-11)12-3-4-14(18)15(19)8-12/h3-4,6,8-10,16,21H,2,5,7H2,1H3
InChIKeyGUWYMJWHWWSJCA-UHFFFAOYSA-N
XLogP5.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.14
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 104801443
N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034419
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
N-[2-(5-bromo-3-pyridinyl)-1-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 104801776
N-[2-(5-bromo-3-pyridinyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 104802078
N-[2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 63418360
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105036667
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-(3,4-dichlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine (CID 104803602) is N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cncc(Br)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine?
The InChIKey is GUWYMJWHWWSJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrCl2N2/c1-2-5-21-16(7-11-6-13(17)10-20-9-11)12-3-4-14(18)15(19)8-12/h3-4,6,8-10,16,21H,2,5,7H2,1H3.
What are the key properties of N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine?
N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine has a molecular weight of 388.14 g/mol, XLogP of 5.43, 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-(3,4-dichlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 104803602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).