N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine

C16H28N2O — CID 55085307

IUPACN-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
SMILESCOCCNCCN(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H28N2O/c1-13-10-14(2)16(15(3)11-13)12-18(4)8-6-17-7-9-19-5/h10-11,17H,6-9,12H2,1-5H3
InChIKeyYDNKUQWBBMAFDO-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.28
Rot. Bonds8

About N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine

N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine (PubChem CID 55085307) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
PubChem CID55085307
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
SMILESCOCCNCCN(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H28N2O/c1-13-10-14(2)16(15(3)11-13)12-18(4)8-6-17-7-9-19-5/h10-11,17H,6-9,12H2,1-5H3
InChIKeyYDNKUQWBBMAFDO-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.28
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

N'-[(3-bromo-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104851463
N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 113409328
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 113405525
N'-[(2-bromo-3-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107982204
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478
N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304715
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 114242589
2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde
CID 115223050
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
N'-[(4-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 54989593
N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine
CID 113409299

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine (CID 55085307) is N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine is COCCNCCN(C)Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is YDNKUQWBBMAFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-10-14(2)16(15(3)11-13)12-18(4)8-6-17-7-9-19-5/h10-11,17H,6-9,12H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55085307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).