N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline

C18H23NO2 — CID 54800526

IUPACN-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2cccc(OCC)c2)c1
InChIInChI=1S/C18H23NO2/c1-3-11-21-18-10-6-8-16(13-18)19-14-15-7-5-9-17(12-15)20-4-2/h5-10,12-13,19H,3-4,11,14H2,1-2H3
InChIKeyIVYJEACTCOFJPX-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.49
Rot. Bonds8

About N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline

N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline (PubChem CID 54800526) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
PubChem CID54800526
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2cccc(OCC)c2)c1
InChIInChI=1S/C18H23NO2/c1-3-11-21-18-10-6-8-16(13-18)19-14-15-7-5-9-17(12-15)20-4-2/h5-10,12-13,19H,3-4,11,14H2,1-2H3
InChIKeyIVYJEACTCOFJPX-UHFFFAOYSA-N
XLogP4.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
3-chloro-N-[(3-propoxyphenyl)methyl]aniline
CID 39375106
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
N-[(3-butoxyphenyl)methyl]-3-heptoxyaniline
CID 54802329
3-methylsulfanyl-N-[(3-propoxyphenyl)methyl]aniline
CID 60961433
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
3-[(3-ethoxyanilino)methyl]aniline
CID 83961381
3-[(3-propoxyanilino)methyl]benzonitrile
CID 43435811
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline (CID 54800526) is N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline is CCCOc1cccc(NCc2cccc(OCC)c2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline?
The InChIKey is IVYJEACTCOFJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-11-21-18-10-6-8-16(13-18)19-14-15-7-5-9-17(12-15)20-4-2/h5-10,12-13,19H,3-4,11,14H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline?
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline has a molecular weight of 285.39 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline is sourced from PubChem (CID 54800526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).