bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride

C16H19Cl5N2 — CID 175176503

IUPACbis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
SMILESCl.NCCc1ccc(Cl)cc1Cl.NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/2C8H9Cl2N.ClH/c2*9-7-2-1-6(3-4-11)8(10)5-7;/h2*1-2,5H,3-4,11H2;1H
InChIKeyMSBBQBYLONXVJU-UHFFFAOYSA-N
MW416.61 g/mol
LogP5.41
Rot. Bonds4

About bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride

bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride (PubChem CID 175176503) has the molecular formula C16H19Cl5N2 and a molecular weight of 416.61 g/mol. Its IUPAC name is bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride.

Molecular Properties

Compound Namebis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
PubChem CID175176503
Molecular FormulaC16H19Cl5N2
Molecular Weight416.61 g/mol
Exact Mass414.00
IUPAC Namebis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
SMILESCl.NCCc1ccc(Cl)cc1Cl.NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/2C8H9Cl2N.ClH/c2*9-7-2-1-6(3-4-11)8(10)5-7;/h2*1-2,5H,3-4,11H2;1H
InChIKeyMSBBQBYLONXVJU-UHFFFAOYSA-N
XLogP5.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
2-(4-chloro-2-iodophenyl)ethanamine
CID 130050912
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride
CID 86091425
1-but-2-enyl-2,4-dichlorobenzene
CID 70272980
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
(2,4-dichlorophenyl)methylphosphane
CID 134447961
7-(2,4-dichlorophenyl)heptane-1-thiol
CID 10731219
4-[(2,4-dichlorophenyl)methyl]aniline
CID 116926043
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
3-(2,4-dichlorophenyl)propanal;ethane
CID 143735610

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride?
The IUPAC name of bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride (CID 175176503) is bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride.
What is the SMILES notation for bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride?
The canonical SMILES for bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride is Cl.NCCc1ccc(Cl)cc1Cl.NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride?
The InChIKey is MSBBQBYLONXVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9Cl2N.ClH/c2*9-7-2-1-6(3-4-11)8(10)5-7;/h2*1-2,5H,3-4,11H2;1H.
What are the key properties of bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride?
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride has a molecular weight of 416.61 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride is sourced from PubChem (CID 175176503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).