2-[10-(4-aminophenoxy)decoxy]aniline

C22H32N2O2 — CID 146356244

IUPAC2-[10-(4-aminophenoxy)decoxy]aniline
SMILESNc1ccc(OCCCCCCCCCCOc2ccccc2N)cc1
InChIInChI=1S/C22H32N2O2/c23-19-13-15-20(16-14-19)25-17-9-5-3-1-2-4-6-10-18-26-22-12-8-7-11-21(22)24/h7-8,11-16H,1-6,9-10,17-18,23-24H2
InChIKeyVTAJNBOUXPHGLV-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.43
Rot. Bonds13

About 2-[10-(4-aminophenoxy)decoxy]aniline

2-[10-(4-aminophenoxy)decoxy]aniline (PubChem CID 146356244) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[10-(4-aminophenoxy)decoxy]aniline.

Molecular Properties

Compound Name2-[10-(4-aminophenoxy)decoxy]aniline
PubChem CID146356244
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-[10-(4-aminophenoxy)decoxy]aniline
SMILESNc1ccc(OCCCCCCCCCCOc2ccccc2N)cc1
InChIInChI=1S/C22H32N2O2/c23-19-13-15-20(16-14-19)25-17-9-5-3-1-2-4-6-10-18-26-22-12-8-7-11-21(22)24/h7-8,11-16H,1-6,9-10,17-18,23-24H2
InChIKeyVTAJNBOUXPHGLV-UHFFFAOYSA-N
XLogP5.43
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.43
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'}

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Related Compounds

4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
2-[4-(3-aminophenoxy)butoxy]aniline
CID 146356304
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
4-methylaniline;2-tetradecoxyaniline
CID 158200068
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-octoxyaniline
CID 14747235
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
4-(4-phenylsulfanylbutoxy)aniline
CID 82097952

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-aminophenoxy)decoxy]aniline?
The IUPAC name of 2-[10-(4-aminophenoxy)decoxy]aniline (CID 146356244) is 2-[10-(4-aminophenoxy)decoxy]aniline.
What is the SMILES notation for 2-[10-(4-aminophenoxy)decoxy]aniline?
The canonical SMILES for 2-[10-(4-aminophenoxy)decoxy]aniline is Nc1ccc(OCCCCCCCCCCOc2ccccc2N)cc1.
What is the InChIKey of 2-[10-(4-aminophenoxy)decoxy]aniline?
The InChIKey is VTAJNBOUXPHGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c23-19-13-15-20(16-14-19)25-17-9-5-3-1-2-4-6-10-18-26-22-12-8-7-11-21(22)24/h7-8,11-16H,1-6,9-10,17-18,23-24H2.
What are the key properties of 2-[10-(4-aminophenoxy)decoxy]aniline?
2-[10-(4-aminophenoxy)decoxy]aniline has a molecular weight of 356.51 g/mol, XLogP of 5.43, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-aminophenoxy)decoxy]aniline is sourced from PubChem (CID 146356244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).