3-propoxy-N-[(4-propoxyphenyl)methyl]aniline

C19H25NO2 — CID 54800585

IUPAC3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccc(CNc2cccc(OCCC)c2)cc1
InChIInChI=1S/C19H25NO2/c1-3-12-21-18-10-8-16(9-11-18)15-20-17-6-5-7-19(14-17)22-13-4-2/h5-11,14,20H,3-4,12-13,15H2,1-2H3
InChIKeyAGYIWUKEHLQMCR-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.88
Rot. Bonds9

About 3-propoxy-N-[(4-propoxyphenyl)methyl]aniline

3-propoxy-N-[(4-propoxyphenyl)methyl]aniline (PubChem CID 54800585) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-propoxy-N-[(4-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
PubChem CID54800585
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccc(CNc2cccc(OCCC)c2)cc1
InChIInChI=1S/C19H25NO2/c1-3-12-21-18-10-8-16(9-11-18)15-20-17-6-5-7-19(14-17)22-13-4-2/h5-11,14,20H,3-4,12-13,15H2,1-2H3
InChIKeyAGYIWUKEHLQMCR-UHFFFAOYSA-N
XLogP4.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(4-methylsulfanylphenyl)methyl]-3-propoxyaniline
CID 43435807
3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
3-bromo-N-[(4-propoxyphenyl)methyl]aniline
CID 29054457
3-chloro-N-[(4-propoxyphenyl)methyl]aniline
CID 29296989
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802163
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]aniline
CID 29041093
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline
CID 104749489
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
3-[(3-propoxyanilino)methyl]benzonitrile
CID 43435811

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[(4-propoxyphenyl)methyl]aniline?
The IUPAC name of 3-propoxy-N-[(4-propoxyphenyl)methyl]aniline (CID 54800585) is 3-propoxy-N-[(4-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 3-propoxy-N-[(4-propoxyphenyl)methyl]aniline?
The canonical SMILES for 3-propoxy-N-[(4-propoxyphenyl)methyl]aniline is CCCOc1ccc(CNc2cccc(OCCC)c2)cc1.
What is the InChIKey of 3-propoxy-N-[(4-propoxyphenyl)methyl]aniline?
The InChIKey is AGYIWUKEHLQMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-12-21-18-10-8-16(9-11-18)15-20-17-6-5-7-19(14-17)22-13-4-2/h5-11,14,20H,3-4,12-13,15H2,1-2H3.
What are the key properties of 3-propoxy-N-[(4-propoxyphenyl)methyl]aniline?
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[(4-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 54800585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).