3-[1-(4-aminophenoxy)hexoxy]aniline

C18H24N2O2 — CID 146356105

IUPAC3-[1-(4-aminophenoxy)hexoxy]aniline
SMILESCCCCCC(Oc1ccc(N)cc1)Oc1cccc(N)c1
InChIInChI=1S/C18H24N2O2/c1-2-3-4-8-18(21-16-11-9-14(19)10-12-16)22-17-7-5-6-15(20)13-17/h5-7,9-13,18H,2-4,8,19-20H2,1H3
InChIKeyUHIISFTZQWMNHP-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.22
Rot. Bonds8

About 3-[1-(4-aminophenoxy)hexoxy]aniline

3-[1-(4-aminophenoxy)hexoxy]aniline (PubChem CID 146356105) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[1-(4-aminophenoxy)hexoxy]aniline.

Molecular Properties

Compound Name3-[1-(4-aminophenoxy)hexoxy]aniline
PubChem CID146356105
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[1-(4-aminophenoxy)hexoxy]aniline
SMILESCCCCCC(Oc1ccc(N)cc1)Oc1cccc(N)c1
InChIInChI=1S/C18H24N2O2/c1-2-3-4-8-18(21-16-11-9-14(19)10-12-16)22-17-7-5-6-15(20)13-17/h5-7,9-13,18H,2-4,8,19-20H2,1H3
InChIKeyUHIISFTZQWMNHP-UHFFFAOYSA-N
XLogP4.22
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.22
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'}

Analyze 3-[1-(4-aminophenoxy)hexoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-aminophenoxy)octoxy]aniline
CID 90332086
5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline
CID 146356065
3-heptan-2-yloxyaniline
CID 91558266
3-[11,11-bis(3-aminophenoxy)undecan-3-yloxy]aniline
CID 172741204
1-(3-aminophenoxy)butan-1-ol
CID 173226029
2-[1-(4-amino-3-methylphenoxy)heptoxy]-6-methylaniline
CID 146356181
1-methoxydecoxybenzene
CID 24977925
2-(3-aminophenoxy)butanamide
CID 62901524
(2S)-2-(3-aminophenoxy)butanoic acid
CID 40788014
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
methyl 2-(3-aminophenoxy)butanoate
CID 18433398
4-(2-methyltridec-2-en-4-yloxy)aniline
CID 151981592

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-aminophenoxy)hexoxy]aniline?
The IUPAC name of 3-[1-(4-aminophenoxy)hexoxy]aniline (CID 146356105) is 3-[1-(4-aminophenoxy)hexoxy]aniline.
What is the SMILES notation for 3-[1-(4-aminophenoxy)hexoxy]aniline?
The canonical SMILES for 3-[1-(4-aminophenoxy)hexoxy]aniline is CCCCCC(Oc1ccc(N)cc1)Oc1cccc(N)c1.
What is the InChIKey of 3-[1-(4-aminophenoxy)hexoxy]aniline?
The InChIKey is UHIISFTZQWMNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-3-4-8-18(21-16-11-9-14(19)10-12-16)22-17-7-5-6-15(20)13-17/h5-7,9-13,18H,2-4,8,19-20H2,1H3.
What are the key properties of 3-[1-(4-aminophenoxy)hexoxy]aniline?
3-[1-(4-aminophenoxy)hexoxy]aniline has a molecular weight of 300.40 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-aminophenoxy)hexoxy]aniline is sourced from PubChem (CID 146356105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).