N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine

C22H32N2O — CID 134112447

IUPACN'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(CCOCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H32N2O/c1-3-23(4-2)15-16-24(19-21-11-7-5-8-12-21)17-18-25-20-22-13-9-6-10-14-22/h5-14H,3-4,15-20H2,1-2H3
InChIKeyJPXAHGLNOBNCNE-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.05
Rot. Bonds12

About N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine

N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine (PubChem CID 134112447) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
PubChem CID134112447
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(CCOCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H32N2O/c1-3-23(4-2)15-16-24(19-21-11-7-5-8-12-21)17-18-25-20-22-13-9-6-10-14-22/h5-14H,3-4,15-20H2,1-2H3
InChIKeyJPXAHGLNOBNCNE-UHFFFAOYSA-N
XLogP4.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine
CID 3025101
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine
CID 70407651
2-[benzyl(ethyl)amino]ethyl methanesulfonate
CID 87874420
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine
CID 87162454
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine
CID 57298198
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
ethane;phenylmethoxymethylbenzene
CID 90943549
butoxymethylbenzene;ethane
CID 145341806
3-[1-[3-[benzyl(3-phenylmethoxypropyl)amino]propoxy]ethoxy]propan-1-amine
CID 177226788

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine (CID 134112447) is N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine is CCN(CC)CCN(CCOCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine?
The InChIKey is JPXAHGLNOBNCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-3-23(4-2)15-16-24(19-21-11-7-5-8-12-21)17-18-25-20-22-13-9-6-10-14-22/h5-14H,3-4,15-20H2,1-2H3.
What are the key properties of N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine?
N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine has a molecular weight of 340.51 g/mol, XLogP of 4.05, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 134112447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).