4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline

C19H18N2O2 — CID 59187914

IUPAC4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
SMILESCc1cc(Oc2ccc(N)cc2)cc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C19H18N2O2/c1-13-10-18(22-16-6-2-14(20)3-7-16)12-19(11-13)23-17-8-4-15(21)5-9-17/h2-12H,20-21H2,1H3
InChIKeyBJMGHHZMPZSAKW-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.74
Rot. Bonds4

About 4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline

4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline (PubChem CID 59187914) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline.

Molecular Properties

Compound Name4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
PubChem CID59187914
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
SMILESCc1cc(Oc2ccc(N)cc2)cc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C19H18N2O2/c1-13-10-18(22-16-6-2-14(20)3-7-16)12-19(11-13)23-17-8-4-15(21)5-9-17/h2-12H,20-21H2,1H3
InChIKeyBJMGHHZMPZSAKW-UHFFFAOYSA-N
XLogP4.74
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-(4-aminophenoxy)aniline
CID 161415647
4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
CID 139877807
4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline
CID 141268738
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine
CID 123361799
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
1-(4-ethenylphenoxy)-3,5-dimethylbenzene
CID 141340670

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline?
The IUPAC name of 4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline (CID 59187914) is 4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline.
What is the SMILES notation for 4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline?
The canonical SMILES for 4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline is Cc1cc(Oc2ccc(N)cc2)cc(Oc2ccc(N)cc2)c1.
What is the InChIKey of 4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline?
The InChIKey is BJMGHHZMPZSAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-10-18(22-16-6-2-14(20)3-7-16)12-19(11-13)23-17-8-4-15(21)5-9-17/h2-12H,20-21H2,1H3.
What are the key properties of 4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline?
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline has a molecular weight of 306.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline is sourced from PubChem (CID 59187914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).