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

C19H21N3O — CID 24947897

IUPACN-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline
SMILESCCN(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H21N3O/c1-2-22(13-17-12-20-15-21-17)18-9-6-10-19(11-18)23-14-16-7-4-3-5-8-16/h3-12,15H,2,13-14H2,1H3,(H,20,21)
InChIKeyGKGZKUGPNKWGJG-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.02
Rot. Bonds7

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

N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline (PubChem CID 24947897) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline
PubChem CID24947897
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline
SMILESCCN(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H21N3O/c1-2-22(13-17-12-20-15-21-17)18-9-6-10-19(11-18)23-14-16-7-4-3-5-8-16/h3-12,15H,2,13-14H2,1H3,(H,20,21)
InChIKeyGKGZKUGPNKWGJG-UHFFFAOYSA-N
XLogP4.02
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.02
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-phenylmethoxyaniline?
The IUPAC name of N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline (CID 24947897) is N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline.
What is the SMILES notation for N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline?
The canonical SMILES for N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline is CCN(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline?
The InChIKey is GKGZKUGPNKWGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-22(13-17-12-20-15-21-17)18-9-6-10-19(11-18)23-14-16-7-4-3-5-8-16/h3-12,15H,2,13-14H2,1H3,(H,20,21).
What are the key properties of N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline?
N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxyaniline has a molecular weight of 307.40 g/mol, XLogP of 4.02, 7 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-phenylmethoxyaniline is sourced from PubChem (CID 24947897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).