N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine

C14H24N2O — CID 54809654

IUPACN'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCc1cccc(C)c1NCCNCCOC
InChIInChI=1S/C14H24N2O/c1-4-13-7-5-6-12(2)14(13)16-9-8-15-10-11-17-3/h5-7,15-16H,4,8-11H2,1-3H3
InChIKeyAVKBEZXOPNITOZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.21
Rot. Bonds8

About N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine

N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 54809654) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID54809654
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCc1cccc(C)c1NCCNCCOC
InChIInChI=1S/C14H24N2O/c1-4-13-7-5-6-12(2)14(13)16-9-8-15-10-11-17-3/h5-7,15-16H,4,8-11H2,1-3H3
InChIKeyAVKBEZXOPNITOZ-UHFFFAOYSA-N
XLogP2.21
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.21
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

N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine
CID 54807025
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 54810086
N'-[(2,3-dimethylphenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405496
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine
CID 18441585
N'-(2-ethyl-6-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809826
N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine
CID 54809643
2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104562158
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119
2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
CID 82096293
2-methoxy-N-(2-methoxyethyl)-6-methylaniline
CID 131854932
2,6-diethyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409479

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 54809654) is N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine is CCc1cccc(C)c1NCCNCCOC.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is AVKBEZXOPNITOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-13-7-5-6-12(2)14(13)16-9-8-15-10-11-17-3/h5-7,15-16H,4,8-11H2,1-3H3.
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 54809654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).