5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline

C19H26N2O2 — CID 146356065

IUPAC5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline
SMILESCCCCCC(Oc1ccc(N)cc1)Oc1ccc(C)c(N)c1
InChIInChI=1S/C19H26N2O2/c1-3-4-5-6-19(22-16-11-8-15(20)9-12-16)23-17-10-7-14(2)18(21)13-17/h7-13,19H,3-6,20-21H2,1-2H3
InChIKeyJLSFVOKIGYHKIA-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.52
Rot. Bonds8

About 5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline

5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline (PubChem CID 146356065) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline
PubChem CID146356065
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline
SMILESCCCCCC(Oc1ccc(N)cc1)Oc1ccc(C)c(N)c1
InChIInChI=1S/C19H26N2O2/c1-3-4-5-6-19(22-16-11-8-15(20)9-12-16)23-17-10-7-14(2)18(21)13-17/h7-13,19H,3-6,20-21H2,1-2H3
InChIKeyJLSFVOKIGYHKIA-UHFFFAOYSA-N
XLogP4.52
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.52
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'}

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Related Compounds

4-[1-(4-aminophenoxy)octoxy]aniline
CID 90332086
3-[1-(4-aminophenoxy)hexoxy]aniline
CID 146356105
2-[1-(4-amino-3-methylphenoxy)heptoxy]-6-methylaniline
CID 146356181
2-amino-5-[1-(4-aminophenoxy)propoxy]phenol
CID 90980349
4-(2-methyltridec-2-en-4-yloxy)aniline
CID 151981592
4-(1-aminooctyl)aniline
CID 137458153
3-[11,11-bis(3-aminophenoxy)undecan-3-yloxy]aniline
CID 172741204
[3-methyl-4-[4-[1-[(E)-prop-1-enoxy]hexoxy]benzoyl]oxyphenyl] 4-[1-[(E)-prop-1-enoxy]hexoxy]benzoate
CID 141325777
5-[3-(3,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097173
1-methoxydecoxybenzene
CID 24977925
3-heptan-2-yloxyaniline
CID 91558266
4-heptoxybenzene-1,2-diamine
CID 54795786

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline?
The IUPAC name of 5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline (CID 146356065) is 5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline.
What is the SMILES notation for 5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline?
The canonical SMILES for 5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline is CCCCCC(Oc1ccc(N)cc1)Oc1ccc(C)c(N)c1.
What is the InChIKey of 5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline?
The InChIKey is JLSFVOKIGYHKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-4-5-6-19(22-16-11-8-15(20)9-12-16)23-17-10-7-14(2)18(21)13-17/h7-13,19H,3-6,20-21H2,1-2H3.
What are the key properties of 5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline?
5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline has a molecular weight of 314.43 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline is sourced from PubChem (CID 146356065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).