3-[3-(4-propylphenoxy)propoxy]aniline

C18H23NO2 — CID 62548550

IUPAC3-[3-(4-propylphenoxy)propoxy]aniline
SMILESCCCc1ccc(OCCCOc2cccc(N)c2)cc1
InChIInChI=1S/C18H23NO2/c1-2-5-15-8-10-17(11-9-15)20-12-4-13-21-18-7-3-6-16(19)14-18/h3,6-11,14H,2,4-5,12-13,19H2,1H3
InChIKeyFSFCNFLJBAVSHE-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.07
Rot. Bonds8

About 3-[3-(4-propylphenoxy)propoxy]aniline

3-[3-(4-propylphenoxy)propoxy]aniline (PubChem CID 62548550) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-(4-propylphenoxy)propoxy]aniline.

Molecular Properties

Compound Name3-[3-(4-propylphenoxy)propoxy]aniline
PubChem CID62548550
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[3-(4-propylphenoxy)propoxy]aniline
SMILESCCCc1ccc(OCCCOc2cccc(N)c2)cc1
InChIInChI=1S/C18H23NO2/c1-2-5-15-8-10-17(11-9-15)20-12-4-13-21-18-7-3-6-16(19)14-18/h3,6-11,14H,2,4-5,12-13,19H2,1H3
InChIKeyFSFCNFLJBAVSHE-UHFFFAOYSA-N
XLogP4.07
TPSA44.48 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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
3-(3-propoxypropoxy)aniline
CID 43247836
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
1-nonoxy-4-propylbenzene
CID 118632119
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
3-(4-aminoheptoxy)aniline
CID 160803026
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
3-(3-ethylsulfanylpropoxy)aniline
CID 43366378
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
3-[2-(4-pyrrol-1-ylphenoxy)ethoxy]aniline
CID 122177721
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propylphenoxy)propoxy]aniline?
The IUPAC name of 3-[3-(4-propylphenoxy)propoxy]aniline (CID 62548550) is 3-[3-(4-propylphenoxy)propoxy]aniline.
What is the SMILES notation for 3-[3-(4-propylphenoxy)propoxy]aniline?
The canonical SMILES for 3-[3-(4-propylphenoxy)propoxy]aniline is CCCc1ccc(OCCCOc2cccc(N)c2)cc1.
What is the InChIKey of 3-[3-(4-propylphenoxy)propoxy]aniline?
The InChIKey is FSFCNFLJBAVSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-5-15-8-10-17(11-9-15)20-12-4-13-21-18-7-3-6-16(19)14-18/h3,6-11,14H,2,4-5,12-13,19H2,1H3.
What are the key properties of 3-[3-(4-propylphenoxy)propoxy]aniline?
3-[3-(4-propylphenoxy)propoxy]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propylphenoxy)propoxy]aniline is sourced from PubChem (CID 62548550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).