2-(dibenzylamino)ethyl formate

C17H19NO2 — CID 24829039

IUPAC2-(dibenzylamino)ethyl formate
SMILESO=COCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2/c19-15-20-12-11-18(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyIHXNIOULDZVDEF-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.86
Rot. Bonds8

About 2-(dibenzylamino)ethyl formate

2-(dibenzylamino)ethyl formate (PubChem CID 24829039) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(dibenzylamino)ethyl formate.

Molecular Properties

Compound Name2-(dibenzylamino)ethyl formate
PubChem CID24829039
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(dibenzylamino)ethyl formate
SMILESO=COCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2/c19-15-20-12-11-18(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyIHXNIOULDZVDEF-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dibenzylamino)ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate
CID 142452605
[4-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl formate
CID 118067597
2-(dibenzylamino)ethyl prop-2-enoate
CID 18943210
N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane
CID 157145048
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
18-phenyloctadecyl formate
CID 173425595
N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
N',N'-dibenzyl-N,N-bis(2-chloroethyl)ethane-1,2-diamine;dihydrochloride
CID 138396514
N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine
CID 89321168
2-[benzyl(ethyl)amino]ethyl methanesulfonate
CID 87874420

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)ethyl formate?
The IUPAC name of 2-(dibenzylamino)ethyl formate (CID 24829039) is 2-(dibenzylamino)ethyl formate.
What is the SMILES notation for 2-(dibenzylamino)ethyl formate?
The canonical SMILES for 2-(dibenzylamino)ethyl formate is O=COCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)ethyl formate?
The InChIKey is IHXNIOULDZVDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-15-20-12-11-18(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,15H,11-14H2.
What are the key properties of 2-(dibenzylamino)ethyl formate?
2-(dibenzylamino)ethyl formate has a molecular weight of 269.34 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)ethyl formate is sourced from PubChem (CID 24829039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).