3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline

C20H28N2O2 — CID 146356261

IUPAC3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
SMILESCc1c(N)cccc1OCCCCCCCOc1ccccc1N
InChIInChI=1S/C20H28N2O2/c1-16-17(21)11-9-13-19(16)23-14-7-3-2-4-8-15-24-20-12-6-5-10-18(20)22/h5-6,9-13H,2-4,7-8,14-15,21-22H2,1H3
InChIKeyMXLIDGJGQANTQU-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.57
Rot. Bonds10

About 3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline

3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline (PubChem CID 146356261) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline.

Molecular Properties

Compound Name3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
PubChem CID146356261
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
SMILESCc1c(N)cccc1OCCCCCCCOc1ccccc1N
InChIInChI=1S/C20H28N2O2/c1-16-17(21)11-9-13-19(16)23-14-7-3-2-4-8-15-24-20-12-6-5-10-18(20)22/h5-6,9-13H,2-4,7-8,14-15,21-22H2,1H3
InChIKeyMXLIDGJGQANTQU-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline
CID 146356235
2-octoxyaniline
CID 14747235
2-methyl-3-propoxyaniline
CID 23134606
3-[4-(2,4-dimethylphenoxy)butoxy]-2-methylaniline
CID 82097265
2-methyl-3-[3-(4-methylphenoxy)propoxy]aniline
CID 82097227
4-methylaniline;2-tetradecoxyaniline
CID 158200068
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
2-[10-(4-aminophenoxy)decoxy]aniline
CID 146356244
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
3-[3-(2,5-dichlorophenoxy)propoxy]-2-methylaniline
CID 82097238

Frequently Asked Questions

What is the IUPAC name of 3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline?
The IUPAC name of 3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline (CID 146356261) is 3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline.
What is the SMILES notation for 3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline?
The canonical SMILES for 3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline is Cc1c(N)cccc1OCCCCCCCOc1ccccc1N.
What is the InChIKey of 3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline?
The InChIKey is MXLIDGJGQANTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16-17(21)11-9-13-19(16)23-14-7-3-2-4-8-15-24-20-12-6-5-10-18(20)22/h5-6,9-13H,2-4,7-8,14-15,21-22H2,1H3.
What are the key properties of 3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline?
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline has a molecular weight of 328.46 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline is sourced from PubChem (CID 146356261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).