N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline

C13H17N3O — CID 59728143

IUPACN-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
SMILESCCN(Cc1cnc[nH]1)c1cccc(OC)c1
InChIInChI=1S/C13H17N3O/c1-3-16(9-11-8-14-10-15-11)12-5-4-6-13(7-12)17-2/h4-8,10H,3,9H2,1-2H3,(H,14,15)
InChIKeyUYDUFDUVSDKARK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.44
Rot. Bonds5

About N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline

N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline (PubChem CID 59728143) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline.

Molecular Properties

Compound NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
PubChem CID59728143
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
SMILESCCN(Cc1cnc[nH]1)c1cccc(OC)c1
InChIInChI=1S/C13H17N3O/c1-3-16(9-11-8-14-10-15-11)12-5-4-6-13(7-12)17-2/h4-8,10H,3,9H2,1-2H3,(H,14,15)
InChIKeyUYDUFDUVSDKARK-UHFFFAOYSA-N
XLogP2.44
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline?
The IUPAC name of N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline (CID 59728143) is N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline.
What is the SMILES notation for N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline?
The canonical SMILES for N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline is CCN(Cc1cnc[nH]1)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline?
The InChIKey is UYDUFDUVSDKARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16(9-11-8-14-10-15-11)12-5-4-6-13(7-12)17-2/h4-8,10H,3,9H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline?
N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline has a molecular weight of 231.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline is sourced from PubChem (CID 59728143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).