2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol

C15H18N2O3 — CID 91322801

IUPAC2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol
SMILESCc1cccc(OCCOc2cc(N)c(O)cc2N)c1
InChIInChI=1S/C15H18N2O3/c1-10-3-2-4-11(7-10)19-5-6-20-15-9-12(16)14(18)8-13(15)17/h2-4,7-9,18H,5-6,16-17H2,1H3
InChIKeyZRTORZWVBRYRRU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.32
Rot. Bonds5

About 2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol

2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol (PubChem CID 91322801) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol.

Molecular Properties

Compound Name2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol
PubChem CID91322801
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol
SMILESCc1cccc(OCCOc2cc(N)c(O)cc2N)c1
InChIInChI=1S/C15H18N2O3/c1-10-3-2-4-11(7-10)19-5-6-20-15-9-12(16)14(18)8-13(15)17/h2-4,7-9,18H,5-6,16-17H2,1H3
InChIKeyZRTORZWVBRYRRU-UHFFFAOYSA-N
XLogP2.32
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline
CID 82097157
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide
CID 82070425
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
CID 39361246
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
3-(3-methylphenoxy)propanethioamide
CID 7745599
2-[4-[2-(3-methylphenoxy)ethoxy]phenyl]acetonitrile
CID 43243670
2-(3-methylphenoxy)ethyl butanoate
CID 13247559

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol?
The IUPAC name of 2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol (CID 91322801) is 2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol.
What is the SMILES notation for 2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol?
The canonical SMILES for 2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol is Cc1cccc(OCCOc2cc(N)c(O)cc2N)c1.
What is the InChIKey of 2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol?
The InChIKey is ZRTORZWVBRYRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-3-2-4-11(7-10)19-5-6-20-15-9-12(16)14(18)8-13(15)17/h2-4,7-9,18H,5-6,16-17H2,1H3.
What are the key properties of 2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol?
2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol has a molecular weight of 274.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol is sourced from PubChem (CID 91322801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).