N,N-dibenzyl-2-chloroethanamine

C16H18ClN — CID 5820

IUPACN,N-dibenzyl-2-chloroethanamine
SMILESClCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18ClN/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyGSLWSSUWNCJILM-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.93
Rot. Bonds6

About N,N-dibenzyl-2-chloroethanamine

N,N-dibenzyl-2-chloroethanamine (PubChem CID 5820) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N,N-dibenzyl-2-chloroethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-2-chloroethanamine
PubChem CID5820
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN,N-dibenzyl-2-chloroethanamine
SMILESClCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18ClN/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyGSLWSSUWNCJILM-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.93
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?
The IUPAC name of N,N-dibenzyl-2-chloroethanamine (CID 5820) is N,N-dibenzyl-2-chloroethanamine.
What is the SMILES notation for N,N-dibenzyl-2-chloroethanamine?
The canonical SMILES for N,N-dibenzyl-2-chloroethanamine is ClCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-chloroethanamine?
The InChIKey is GSLWSSUWNCJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of N,N-dibenzyl-2-chloroethanamine?
N,N-dibenzyl-2-chloroethanamine has a molecular weight of 259.78 g/mol, XLogP of 3.93, 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 is sourced from PubChem (CID 5820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).