4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine

C19H20N4O2 — CID 141165190

IUPAC4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine
SMILESCc1ccc(Oc2ccc(N)cc2N)cc1Oc1ccc(N)cc1N
InChIInChI=1S/C19H20N4O2/c1-11-2-5-14(24-17-6-3-12(20)8-15(17)22)10-19(11)25-18-7-4-13(21)9-16(18)23/h2-10H,20-23H2,1H3
InChIKeyUWQWOHSRMOCEAI-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.91
Rot. Bonds4

About 4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine

4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine (PubChem CID 141165190) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine
PubChem CID141165190
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine
SMILESCc1ccc(Oc2ccc(N)cc2N)cc1Oc1ccc(N)cc1N
InChIInChI=1S/C19H20N4O2/c1-11-2-5-14(24-17-6-3-12(20)8-15(17)22)10-19(11)25-18-7-4-13(21)9-16(18)23/h2-10H,20-23H2,1H3
InChIKeyUWQWOHSRMOCEAI-UHFFFAOYSA-N
XLogP3.91
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
4-(2,4-diaminophenoxy)phenol
CID 19971372
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine
CID 141165194
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
4-[3-(4-aminophenoxy)-4-[2,4-bis(4-aminophenoxy)phenoxy]phenoxy]aniline
CID 160580543
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
3-bromo-4-(3-fluoro-4-methylphenoxy)aniline
CID 107168516
3-bromo-4-(5-bromo-2-methylphenoxy)aniline
CID 107283299
4-methylbenzene-1,3-diamine
CID 159171817
4-[3-[2,3-bis(2,4-diaminophenoxy)phenoxy]-2-(2,4-diaminophenoxy)phenoxy]benzene-1,3-diamine
CID 174723644

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine?
The IUPAC name of 4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine (CID 141165190) is 4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine.
What is the SMILES notation for 4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine?
The canonical SMILES for 4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine is Cc1ccc(Oc2ccc(N)cc2N)cc1Oc1ccc(N)cc1N.
What is the InChIKey of 4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine?
The InChIKey is UWQWOHSRMOCEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11-2-5-14(24-17-6-3-12(20)8-15(17)22)10-19(11)25-18-7-4-13(21)9-16(18)23/h2-10H,20-23H2,1H3.
What are the key properties of 4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine?
4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine has a molecular weight of 336.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine is sourced from PubChem (CID 141165190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).