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

C16H17BrCl2N2 — CID 107309029

IUPACN-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)c1ccc(Br)cn1
InChIInChI=1S/C16H17BrCl2N2/c1-2-8-20-15(14-7-6-12(17)10-21-14)9-11-4-3-5-13(18)16(11)19/h3-7,10,15,20H,2,8-9H2,1H3
InChIKeyOXRMAYXLHMPTIS-UHFFFAOYSA-N
MW388.14 g/mol
LogP5.43
Rot. Bonds6

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

N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine (PubChem CID 107309029) has the molecular formula C16H17BrCl2N2 and a molecular weight of 388.14 g/mol. Its IUPAC name is N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
PubChem CID107309029
Molecular FormulaC16H17BrCl2N2
Molecular Weight388.14 g/mol
Exact Mass386.00
IUPAC NameN-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)c1ccc(Br)cn1
InChIInChI=1S/C16H17BrCl2N2/c1-2-8-20-15(14-7-6-12(17)10-21-14)9-11-4-3-5-13(18)16(11)19/h3-7,10,15,20H,2,8-9H2,1H3
InChIKeyOXRMAYXLHMPTIS-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-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine
CID 107308391
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
N-[1-(4-bromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 107308639
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428
N-[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105178875
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
2-(2,3-dichlorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 107308453
1-(5-bromo-2-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 114856960
N-[1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63528414
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794282
N-[2-(3-chloro-2-fluorophenyl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
CID 102857832

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine (CID 107309029) is N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1Cl)c1ccc(Br)cn1.
What is the InChIKey of N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine?
The InChIKey is OXRMAYXLHMPTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrCl2N2/c1-2-8-20-15(14-7-6-12(17)10-21-14)9-11-4-3-5-13(18)16(11)19/h3-7,10,15,20H,2,8-9H2,1H3.
What are the key properties of N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine?
N-[1-(5-bromo-2-pyridinyl)-2-(2,3-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-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107309029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).