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

C15H26N2O — CID 113405525

IUPACN-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
SMILESCOCCNCCNCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H26N2O/c1-12-9-13(2)15(14(3)10-12)11-17-6-5-16-7-8-18-4/h9-10,16-17H,5-8,11H2,1-4H3
InChIKeyRWOWWMQDQZLRLX-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.94
Rot. Bonds8

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

N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine (PubChem CID 113405525) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
PubChem CID113405525
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
SMILESCOCCNCCNCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H26N2O/c1-12-9-13(2)15(14(3)10-12)11-17-6-5-16-7-8-18-4/h9-10,16-17H,5-8,11H2,1-4H3
InChIKeyRWOWWMQDQZLRLX-UHFFFAOYSA-N
XLogP1.94
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335149
N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 55085307
N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304715
2-(2-methoxyethylamino)-N-[(2,4,6-trimethylphenyl)methyl]acetamide;hydrochloride
CID 119716132
2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 104931875
2-[(2,4,6-trimethylphenyl)methylamino]ethanethiol
CID 115223927
2-but-3-enoxy-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 113339105
2-methylsulfinyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 115632669
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
CID 115195883
2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508203
N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63507800

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine (CID 113405525) is N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine is COCCNCCNCc1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is RWOWWMQDQZLRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-9-13(2)15(14(3)10-12)11-17-6-5-16-7-8-18-4/h9-10,16-17H,5-8,11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 113405525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).