N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride

C9H12Cl3N — CID 17290765

IUPACN-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C9H11Cl2N.ClH/c1-2-12-6-7-8(10)4-3-5-9(7)11;/h3-5,12H,2,6H2,1H3;1H
InChIKeyILBQPIAFWHMKLC-UHFFFAOYSA-N
MW240.56 g/mol
LogP3.52
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride

N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride (PubChem CID 17290765) has the molecular formula C9H12Cl3N and a molecular weight of 240.56 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
PubChem CID17290765
Molecular FormulaC9H12Cl3N
Molecular Weight240.56 g/mol
Exact Mass239.00
IUPAC NameN-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C9H11Cl2N.ClH/c1-2-12-6-7-8(10)4-3-5-9(7)11;/h3-5,12H,2,6H2,1H3;1H
InChIKeyILBQPIAFWHMKLC-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
N-[(2-chloro-6-nitrophenyl)methyl]ethanamine
CID 63745777
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol
CID 63808921
N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 116689563
N-[[2-chloro-6-(2-ethylphenoxy)phenyl]methyl]ethanamine
CID 43283802
N-[(2-benzylsulfanyl-6-chlorophenyl)methyl]ethanamine
CID 55238285
N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine
CID 43283090
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride
CID 118513323
2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294838

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride (CID 17290765) is N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride is CCNCc1c(Cl)cccc1Cl.Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride?
The InChIKey is ILBQPIAFWHMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N.ClH/c1-2-12-6-7-8(10)4-3-5-9(7)11;/h3-5,12H,2,6H2,1H3;1H.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride?
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride has a molecular weight of 240.56 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17290765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).