4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine

C19H25N3O3 — CID 154418389

IUPAC4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine
SMILESCC(COc1ccc(Oc2ccc(N)c(N)c2)cc1)N1CCOCC1
InChIInChI=1S/C19H25N3O3/c1-14(22-8-10-23-11-9-22)13-24-15-2-4-16(5-3-15)25-17-6-7-18(20)19(21)12-17/h2-7,12,14H,8-11,13,20-21H2,1H3
InChIKeyKLZRUJCWHSJIKN-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.74
Rot. Bonds6

About 4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine

4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine (PubChem CID 154418389) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine
PubChem CID154418389
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine
SMILESCC(COc1ccc(Oc2ccc(N)c(N)c2)cc1)N1CCOCC1
InChIInChI=1S/C19H25N3O3/c1-14(22-8-10-23-11-9-22)13-24-15-2-4-16(5-3-15)25-17-6-7-18(20)19(21)12-17/h2-7,12,14H,8-11,13,20-21H2,1H3
InChIKeyKLZRUJCWHSJIKN-UHFFFAOYSA-N
XLogP2.74
TPSA82.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine?
The IUPAC name of 4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine (CID 154418389) is 4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine is CC(COc1ccc(Oc2ccc(N)c(N)c2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine?
The InChIKey is KLZRUJCWHSJIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(22-8-10-23-11-9-22)13-24-15-2-4-16(5-3-15)25-17-6-7-18(20)19(21)12-17/h2-7,12,14H,8-11,13,20-21H2,1H3.
What are the key properties of 4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine?
4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine has a molecular weight of 343.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine is sourced from PubChem (CID 154418389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).