4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline

C18H23NO2 — CID 39386882

IUPAC4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccc(OCC)cc1
InChIInChI=1S/C18H23NO2/c1-3-13-21-18-8-6-5-7-15(18)14-19-16-9-11-17(12-10-16)20-4-2/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyKUDVXBOZMZMTJS-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.49
Rot. Bonds8

About 4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline

4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline (PubChem CID 39386882) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
PubChem CID39386882
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccc(OCC)cc1
InChIInChI=1S/C18H23NO2/c1-3-13-21-18-8-6-5-7-15(18)14-19-16-9-11-17(12-10-16)20-4-2/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyKUDVXBOZMZMTJS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789
4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39422587
4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777
4-heptoxy-N-[(2-pentoxyphenyl)methyl]aniline
CID 54799636
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650
4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
CID 62391033
N-[(2-butoxyphenyl)methyl]-4-tert-butylaniline
CID 39451770
N-[(2-hexoxyphenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 54799770
N-[(2-pentoxyphenyl)methyl]-4-phenylmethoxyaniline
CID 54799405
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
N-[(2-hexoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799867
4-fluoro-N-[(2-pentoxyphenyl)methyl]aniline
CID 54796466

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline?
The IUPAC name of 4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline (CID 39386882) is 4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline?
The canonical SMILES for 4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline is CCCOc1ccccc1CNc1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline?
The InChIKey is KUDVXBOZMZMTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-13-21-18-8-6-5-7-15(18)14-19-16-9-11-17(12-10-16)20-4-2/h5-12,19H,3-4,13-14H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline?
4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline 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 4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 39386882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).