benzene;N,N-diethylethanamine;hydrochloride

C12H22ClN — CID 173044195

IUPACbenzene;N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CC.Cl.c1ccccc1
InChIInChI=1S/C6H15N.C6H6.ClH/c1-4-7(5-2)6-3;1-2-4-6-5-3-1;/h4-6H2,1-3H3;1-6H;1H
InChIKeyJXWIWFIIDWHZHE-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.46
Rot. Bonds3

About benzene;N,N-diethylethanamine;hydrochloride

benzene;N,N-diethylethanamine;hydrochloride (PubChem CID 173044195) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is benzene;N,N-diethylethanamine;hydrochloride.

Molecular Properties

Compound Namebenzene;N,N-diethylethanamine;hydrochloride
PubChem CID173044195
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Namebenzene;N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CC.Cl.c1ccccc1
InChIInChI=1S/C6H15N.C6H6.ClH/c1-4-7(5-2)6-3;1-2-4-6-5-3-1;/h4-6H2,1-3H3;1-6H;1H
InChIKeyJXWIWFIIDWHZHE-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N-diethylethanamine chloride
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CID 175820473
CID 175820473
N,N-diethylethanamine;palladium(2+)
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bis(N,N-diethylethanamine);dihydrate
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acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
N,N-diethylethanamine;ethene
CID 90857968
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
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Frequently Asked Questions

What is the IUPAC name of benzene;N,N-diethylethanamine;hydrochloride?
The IUPAC name of benzene;N,N-diethylethanamine;hydrochloride (CID 173044195) is benzene;N,N-diethylethanamine;hydrochloride.
What is the SMILES notation for benzene;N,N-diethylethanamine;hydrochloride?
The canonical SMILES for benzene;N,N-diethylethanamine;hydrochloride is CCN(CC)CC.Cl.c1ccccc1.
What is the InChIKey of benzene;N,N-diethylethanamine;hydrochloride?
The InChIKey is JXWIWFIIDWHZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C6H6.ClH/c1-4-7(5-2)6-3;1-2-4-6-5-3-1;/h4-6H2,1-3H3;1-6H;1H.
What are the key properties of benzene;N,N-diethylethanamine;hydrochloride?
benzene;N,N-diethylethanamine;hydrochloride has a molecular weight of 215.77 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N,N-diethylethanamine;hydrochloride is sourced from PubChem (CID 173044195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).