2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline

C18H24N2O3 — CID 102305462

IUPAC2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
SMILESNc1ccccc1OCCCOCCCOc1ccccc1N
InChIInChI=1S/C18H24N2O3/c19-15-7-1-3-9-17(15)22-13-5-11-21-12-6-14-23-18-10-4-2-8-16(18)20/h1-4,7-10H,5-6,11-14,19-20H2
InChIKeyOPVHZEDXZASOSJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.11
Rot. Bonds10

About 2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline

2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline (PubChem CID 102305462) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline.

Molecular Properties

Compound Name2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
PubChem CID102305462
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
SMILESNc1ccccc1OCCCOCCCOc1ccccc1N
InChIInChI=1S/C18H24N2O3/c19-15-7-1-3-9-17(15)22-13-5-11-21-12-6-14-23-18-10-4-2-8-16(18)20/h1-4,7-10H,5-6,11-14,19-20H2
InChIKeyOPVHZEDXZASOSJ-UHFFFAOYSA-N
XLogP3.11
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
2-[3-(furan-2-ylmethoxy)propoxy]aniline
CID 43174360
2-octoxyaniline
CID 14747235
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
CID 43174424
2-[2-(cyclopropylmethoxy)ethoxy]aniline
CID 43366102
(2-aminophenoxy)methanol
CID 22976615
2-[3-(2,4,6-triiodophenoxy)propoxy]aniline
CID 63461018
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
2-[10-(4-aminophenoxy)decoxy]aniline
CID 146356244

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline?
The IUPAC name of 2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline (CID 102305462) is 2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline.
What is the SMILES notation for 2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline?
The canonical SMILES for 2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline is Nc1ccccc1OCCCOCCCOc1ccccc1N.
What is the InChIKey of 2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline?
The InChIKey is OPVHZEDXZASOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c19-15-7-1-3-9-17(15)22-13-5-11-21-12-6-14-23-18-10-4-2-8-16(18)20/h1-4,7-10H,5-6,11-14,19-20H2.
What are the key properties of 2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline?
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline has a molecular weight of 316.40 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline is sourced from PubChem (CID 102305462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).