4-[1-(4-aminophenoxy)octoxy]aniline

C20H28N2O2 — CID 90332086

IUPAC4-[1-(4-aminophenoxy)octoxy]aniline
SMILESCCCCCCCC(Oc1ccc(N)cc1)Oc1ccc(N)cc1
InChIInChI=1S/C20H28N2O2/c1-2-3-4-5-6-7-20(23-18-12-8-16(21)9-13-18)24-19-14-10-17(22)11-15-19/h8-15,20H,2-7,21-22H2,1H3
InChIKeyHWGVFKNTRBFQGZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.00
Rot. Bonds10

About 4-[1-(4-aminophenoxy)octoxy]aniline

4-[1-(4-aminophenoxy)octoxy]aniline (PubChem CID 90332086) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[1-(4-aminophenoxy)octoxy]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenoxy)octoxy]aniline
PubChem CID90332086
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-[1-(4-aminophenoxy)octoxy]aniline
SMILESCCCCCCCC(Oc1ccc(N)cc1)Oc1ccc(N)cc1
InChIInChI=1S/C20H28N2O2/c1-2-3-4-5-6-7-20(23-18-12-8-16(21)9-13-18)24-19-14-10-17(22)11-15-19/h8-15,20H,2-7,21-22H2,1H3
InChIKeyHWGVFKNTRBFQGZ-UHFFFAOYSA-N
XLogP5.00
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-aminophenoxy)hexoxy]aniline
CID 146356105
5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline
CID 146356065
4-(2-methyltridec-2-en-4-yloxy)aniline
CID 151981592
1-methoxydecoxybenzene
CID 24977925
4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999
4-docosan-2-ylaniline
CID 22757336
4-(1-aminooctyl)aniline
CID 137458153
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
CID 22920190
4-(2-heptoxyethoxy)aniline
CID 43366149
2-[1-(4-amino-3-methylphenoxy)heptoxy]-6-methylaniline
CID 146356181
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
4-(2-hexyldecyl)aniline
CID 68751283

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenoxy)octoxy]aniline?
The IUPAC name of 4-[1-(4-aminophenoxy)octoxy]aniline (CID 90332086) is 4-[1-(4-aminophenoxy)octoxy]aniline.
What is the SMILES notation for 4-[1-(4-aminophenoxy)octoxy]aniline?
The canonical SMILES for 4-[1-(4-aminophenoxy)octoxy]aniline is CCCCCCCC(Oc1ccc(N)cc1)Oc1ccc(N)cc1.
What is the InChIKey of 4-[1-(4-aminophenoxy)octoxy]aniline?
The InChIKey is HWGVFKNTRBFQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-3-4-5-6-7-20(23-18-12-8-16(21)9-13-18)24-19-14-10-17(22)11-15-19/h8-15,20H,2-7,21-22H2,1H3.
What are the key properties of 4-[1-(4-aminophenoxy)octoxy]aniline?
4-[1-(4-aminophenoxy)octoxy]aniline has a molecular weight of 328.46 g/mol, XLogP of 5.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenoxy)octoxy]aniline is sourced from PubChem (CID 90332086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).