1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine

C13H17N3O — CID 63000716

IUPAC1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESCCOc1ccccc1CNCc1cnc[nH]1
InChIInChI=1S/C13H17N3O/c1-2-17-13-6-4-3-5-11(13)7-14-8-12-9-15-10-16-12/h3-6,9-10,14H,2,7-8H2,1H3,(H,15,16)
InChIKeyJQLVHPCZANDBPT-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine

1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine (PubChem CID 63000716) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
PubChem CID63000716
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESCCOc1ccccc1CNCc1cnc[nH]1
InChIInChI=1S/C13H17N3O/c1-2-17-13-6-4-3-5-11(13)7-14-8-12-9-15-10-16-12/h3-6,9-10,14H,2,7-8H2,1H3,(H,15,16)
InChIKeyJQLVHPCZANDBPT-UHFFFAOYSA-N
XLogP2.10
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 62763558
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
CID 62763564
N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 94074514
2-(1H-imidazol-5-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 46991408
N-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)methanamine
CID 42778544
N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 63002008
1-(2-ethoxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 54884867
N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60744247
4-ethoxy-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761547
2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178302
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine (CID 63000716) is 1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine is CCOc1ccccc1CNCc1cnc[nH]1.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The InChIKey is JQLVHPCZANDBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-17-13-6-4-3-5-11(13)7-14-8-12-9-15-10-16-12/h3-6,9-10,14H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine is sourced from PubChem (CID 63000716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).