4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine

C19H25N3O3 — CID 21451805

IUPAC4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine
SMILESNc1ccc(Oc2ccc(OCCCC3COCCN3)cc2)cc1N
InChIInChI=1S/C19H25N3O3/c20-18-8-7-17(12-19(18)21)25-16-5-3-15(4-6-16)24-10-1-2-14-13-23-11-9-22-14/h3-8,12,14,22H,1-2,9-11,13,20-21H2
InChIKeyNVXFEPCWZZMIOL-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.79
Rot. Bonds7

About 4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine

4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine (PubChem CID 21451805) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine
PubChem CID21451805
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine
SMILESNc1ccc(Oc2ccc(OCCCC3COCCN3)cc2)cc1N
InChIInChI=1S/C19H25N3O3/c20-18-8-7-17(12-19(18)21)25-16-5-3-15(4-6-16)24-10-1-2-14-13-23-11-9-22-14/h3-8,12,14,22H,1-2,9-11,13,20-21H2
InChIKeyNVXFEPCWZZMIOL-UHFFFAOYSA-N
XLogP2.79
TPSA91.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methoxy-phenoxy)-N-(5-methoxy-2-piperidin-1-yl-phenyl)-acetamide
CID 6496957
3-(4-(2-(Pyrrolidin-1-yl)ethoxy)phenoxy)aniline
CID 49805302
Benzenamine, 4-(3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)-
CID 55415
o-Phenylenediamine, 4,4'-pentamethylenedioxybis-
CID 3066176
3-(2-(Piperidin-1-yl)ethoxy)aniline
CID 21941707
4-(2-(Dimethylamino)ethoxy)benzene-1,2-diamine
CID 22167701
4-Fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine
CID 68841997
2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine
CID 89050980
3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline
CID 118365502
4-fluoro-1-N-(oxan-3-yl)-5-propoxybenzene-1,2-diamine
CID 55215518
4-ethoxy-5-fluoro-2-N-(oxan-3-yl)benzene-1,2-diamine
CID 63592888
4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 63593047

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine?
The IUPAC name of 4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine (CID 21451805) is 4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine is Nc1ccc(Oc2ccc(OCCCC3COCCN3)cc2)cc1N.
What is the InChIKey of 4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine?
The InChIKey is NVXFEPCWZZMIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c20-18-8-7-17(12-19(18)21)25-16-5-3-15(4-6-16)24-10-1-2-14-13-23-11-9-22-14/h3-8,12,14,22H,1-2,9-11,13,20-21H2.
What are the key properties of 4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine?
4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine has a molecular weight of 343.43 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine is sourced from PubChem (CID 21451805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).