1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine

C16H24N4O — CID 63013919

IUPAC1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCCOc1ccccc1C(CN)N(C)Cc1nccn1C
InChIInChI=1S/C16H24N4O/c1-4-21-15-8-6-5-7-13(15)14(11-17)20(3)12-16-18-9-10-19(16)2/h5-10,14H,4,11-12,17H2,1-3H3
InChIKeyUTQOBFFECLBTAZ-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.95
Rot. Bonds7

About 1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine

1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 63013919) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID63013919
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCCOc1ccccc1C(CN)N(C)Cc1nccn1C
InChIInChI=1S/C16H24N4O/c1-4-21-15-8-6-5-7-13(15)14(11-17)20(3)12-16-18-9-10-19(16)2/h5-10,14H,4,11-12,17H2,1-3H3
InChIKeyUTQOBFFECLBTAZ-UHFFFAOYSA-N
XLogP1.95
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43564017
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
[1-(2-ethoxyphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105260833
1-(2-ethoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61215157
1-(2-ethoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570790
1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63013570
3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 103226455
1-(2-ethoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569806
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
CID 63015333
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine (CID 63013919) is 1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine is CCOc1ccccc1C(CN)N(C)Cc1nccn1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is UTQOBFFECLBTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-21-15-8-6-5-7-13(15)14(11-17)20(3)12-16-18-9-10-19(16)2/h5-10,14H,4,11-12,17H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63013919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).