N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine

C15H26N2O — CID 54896843

IUPACN',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1cccc(COC)c1
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)10-9-16-12-14-7-6-8-15(11-14)13-18-3/h6-8,11,16H,4-5,9-10,12-13H2,1-3H3
InChIKeyRCELBHOLHWKVNZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.26
Rot. Bonds9

About N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine

N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 54896843) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID54896843
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1cccc(COC)c1
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)10-9-16-12-14-7-6-8-15(11-14)13-18-3/h6-8,11,16H,4-5,9-10,12-13H2,1-3H3
InChIKeyRCELBHOLHWKVNZ-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
N',N'-diethyl-N-[[2-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54861568
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
N',N'-diethyl-N-[[3-(2-phenoxyethoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803492
N-[(3-butan-2-yloxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849186
N',N'-diethyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4720658
N-[[3-(methoxymethyl)phenyl]methyl]-2-methylsulfinylethanamine
CID 115654099
3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide
CID 54896362
3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 60970958
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine (CID 54896843) is N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine is CCN(CC)CCNCc1cccc(COC)c1.
What is the InChIKey of N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is RCELBHOLHWKVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(5-2)10-9-16-12-14-7-6-8-15(11-14)13-18-3/h6-8,11,16H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 54896843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).