N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride

C11H16Cl3N — CID 2777881

IUPACN-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
SMILESCl.ClCCN(CCCl)Cc1ccccc1
InChIInChI=1S/C11H15Cl2N.ClH/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H
InChIKeyAZRWNJFEUSHORT-UHFFFAOYSA-N
MW268.61 g/mol
LogP3.39
Rot. Bonds6

About N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride

N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride (PubChem CID 2777881) has the molecular formula C11H16Cl3N and a molecular weight of 268.61 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
PubChem CID2777881
Molecular FormulaC11H16Cl3N
Molecular Weight268.61 g/mol
Exact Mass267.03
IUPAC NameN-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
SMILESCl.ClCCN(CCCl)Cc1ccccc1
InChIInChI=1S/C11H15Cl2N.ClH/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H
InChIKeyAZRWNJFEUSHORT-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.61
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
N',N'-dibenzyl-N,N-bis(2-chloroethyl)ethane-1,2-diamine;dihydrochloride
CID 138396514
N,N'-dibenzyl-N,N'-bis(2-chloroethyl)hexane-1,6-diamine;hydrochloride
CID 54598955
(E)-N-benzyl-3-chloro-N-(2-chloroethyl)prop-2-en-1-amine
CID 107900965
N-benzyl-N-(2-chloroethyl)-2-pyridin-2-ylethanamine;hydrochloride
CID 3053599
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
N-benzyl-N-[(3-bromophenyl)methyl]-2-chloroethanamine
CID 55182943
N-benzyl-2-chloro-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63388974
N-benzyl-N-(2-chloroethyl)-2-(2-methylphenyl)sulfanylethanamine;hydrochloride
CID 24835719
N-benzyl-2-chloro-N-(1H-imidazol-5-ylmethyl)ethanamine;dihydrochloride
CID 22335194
2-chloro-N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]ethanamine;hydrochloride
CID 138398765
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CID 65177773

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride?
The IUPAC name of N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride (CID 2777881) is N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride.
What is the SMILES notation for N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride?
The canonical SMILES for N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride is Cl.ClCCN(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride?
The InChIKey is AZRWNJFEUSHORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N.ClH/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H.
What are the key properties of N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride?
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride has a molecular weight of 268.61 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride is sourced from PubChem (CID 2777881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).