3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline

C16H20N2O3 — CID 56634990

IUPAC3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline
SMILESNc1cccc(COCOCOCc2cccc(N)c2)c1
InChIInChI=1S/C16H20N2O3/c17-15-5-1-3-13(7-15)9-19-11-21-12-20-10-14-4-2-6-16(18)8-14/h1-8H,9-12,17-18H2
InChIKeyVVQKABUGJDOFHU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.52
Rot. Bonds8

About 3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline

3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline (PubChem CID 56634990) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline.

Molecular Properties

Compound Name3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline
PubChem CID56634990
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline
SMILESNc1cccc(COCOCOCc2cccc(N)c2)c1
InChIInChI=1S/C16H20N2O3/c17-15-5-1-3-13(7-15)9-19-11-21-12-20-10-14-4-2-6-16(18)8-14/h1-8H,9-12,17-18H2
InChIKeyVVQKABUGJDOFHU-UHFFFAOYSA-N
XLogP2.52
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.52
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline?
The IUPAC name of 3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline (CID 56634990) is 3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline.
What is the SMILES notation for 3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline?
The canonical SMILES for 3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline is Nc1cccc(COCOCOCc2cccc(N)c2)c1.
What is the InChIKey of 3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline?
The InChIKey is VVQKABUGJDOFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-15-5-1-3-13(7-15)9-19-11-21-12-20-10-14-4-2-6-16(18)8-14/h1-8H,9-12,17-18H2.
What are the key properties of 3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline?
3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline has a molecular weight of 288.35 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminophenyl)methoxymethoxymethoxymethyl]aniline is sourced from PubChem (CID 56634990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).