N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine

C21H31N3O — CID 69276301

IUPACN'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCNCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H31N3O/c1-24(2)16-14-22-12-13-23-15-17-25-21-11-7-6-10-20(21)18-19-8-4-3-5-9-19/h3-11,22-23H,12-18H2,1-2H3
InChIKeyDRGAWCGXEURVQH-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.40
Rot. Bonds12

About N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine

N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine (PubChem CID 69276301) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
PubChem CID69276301
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCNCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H31N3O/c1-24(2)16-14-22-12-13-23-15-17-25-21-11-7-6-10-20(21)18-19-8-4-3-5-9-19/h3-11,22-23H,12-18H2,1-2H3
InChIKeyDRGAWCGXEURVQH-UHFFFAOYSA-N
XLogP2.40
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-benzylphenoxy)ethylamino]ethyl]-2-(dimethylamino)acetamide;trihydrochloride
CID 69276295
2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol
CID 2231870
2-benzhydryloxy-N,N-dimethylethanamine;2-(2-benzylphenoxy)-N,N-dimethylethanamine
CID 70260941
N-[2-(2-benzylphenoxy)ethyl]propan-2-amine
CID 62598105
N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62572472
5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
CID 3055351
N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
CID 2966313
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
N-[2-(2-benzyl-4-chlorophenoxy)ethyl]propan-1-amine
CID 63516060
2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 7380062

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine (CID 69276301) is N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine is CN(C)CCNCCNCCOc1ccccc1Cc1ccccc1.
What is the InChIKey of N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is DRGAWCGXEURVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-24(2)16-14-22-12-13-23-15-17-25-21-11-7-6-10-20(21)18-19-8-4-3-5-9-19/h3-11,22-23H,12-18H2,1-2H3.
What are the key properties of N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine?
N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 341.50 g/mol, XLogP of 2.40, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 69276301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).