N,N-dibenzyl-2-chloroethanamine;hydrochloride

C16H19Cl2N — CID 5925

IUPACN,N-dibenzyl-2-chloroethanamine;hydrochloride
SMILESCl.ClCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18ClN.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2;1H
InChIKeyLZXCEBPGNFLHEQ-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.35
Rot. Bonds6

About N,N-dibenzyl-2-chloroethanamine;hydrochloride

N,N-dibenzyl-2-chloroethanamine;hydrochloride (PubChem CID 5925) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is N,N-dibenzyl-2-chloroethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dibenzyl-2-chloroethanamine;hydrochloride
PubChem CID5925
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC NameN,N-dibenzyl-2-chloroethanamine;hydrochloride
SMILESCl.ClCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18ClN.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2;1H
InChIKeyLZXCEBPGNFLHEQ-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-chloroethanamine;hydrochloride?
The IUPAC name of N,N-dibenzyl-2-chloroethanamine;hydrochloride (CID 5925) is N,N-dibenzyl-2-chloroethanamine;hydrochloride.
What is the SMILES notation for N,N-dibenzyl-2-chloroethanamine;hydrochloride?
The canonical SMILES for N,N-dibenzyl-2-chloroethanamine;hydrochloride is Cl.ClCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-chloroethanamine;hydrochloride?
The InChIKey is LZXCEBPGNFLHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2;1H.
What are the key properties of N,N-dibenzyl-2-chloroethanamine;hydrochloride?
N,N-dibenzyl-2-chloroethanamine;hydrochloride has a molecular weight of 296.24 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-chloroethanamine;hydrochloride is sourced from PubChem (CID 5925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).