1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

C14H19N3O — CID 63001857

IUPAC1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCCOc1ccccc1CNCc1nccn1C
InChIInChI=1S/C14H19N3O/c1-3-18-13-7-5-4-6-12(13)10-15-11-14-16-8-9-17(14)2/h4-9,15H,3,10-11H2,1-2H3
InChIKeyADIHMKZJCNUMSG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 63001857) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID63001857
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCCOc1ccccc1CNCc1nccn1C
InChIInChI=1S/C14H19N3O/c1-3-18-13-7-5-4-6-12(13)10-15-11-14-16-8-9-17(14)2/h4-9,15H,3,10-11H2,1-2H3
InChIKeyADIHMKZJCNUMSG-UHFFFAOYSA-N
XLogP2.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 63237468
2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63058179
N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78921714
N-[(2-ethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55202283
1-(2-chloro-3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 112652047
1-(5-bromo-2-propoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237378
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885559
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 62955769
[1-(2-ethoxyphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105260833

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 63001857) is 1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is CCOc1ccccc1CNCc1nccn1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is ADIHMKZJCNUMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-13-7-5-4-6-12(13)10-15-11-14-16-8-9-17(14)2/h4-9,15H,3,10-11H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 63001857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).