3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol

C20H27N3O3 — CID 91478693

IUPAC3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol
SMILESNc1ccc(OCCCO)c(N(Cc2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C20H27N3O3/c21-18-7-8-20(26-12-4-11-24)19(15-18)23(22-9-13-25-14-10-22)16-17-5-2-1-3-6-17/h1-3,5-8,15,24H,4,9-14,16,21H2
InChIKeyIVZZCYWGPICTTM-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.28
Rot. Bonds8

About 3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol

3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol (PubChem CID 91478693) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol
PubChem CID91478693
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol
SMILESNc1ccc(OCCCO)c(N(Cc2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C20H27N3O3/c21-18-7-8-20(26-12-4-11-24)19(15-18)23(22-9-13-25-14-10-22)16-17-5-2-1-3-6-17/h1-3,5-8,15,24H,4,9-14,16,21H2
InChIKeyIVZZCYWGPICTTM-UHFFFAOYSA-N
XLogP2.28
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol?
The IUPAC name of 3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol (CID 91478693) is 3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol is Nc1ccc(OCCCO)c(N(Cc2ccccc2)N2CCOCC2)c1.
What is the InChIKey of 3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol?
The InChIKey is IVZZCYWGPICTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c21-18-7-8-20(26-12-4-11-24)19(15-18)23(22-9-13-25-14-10-22)16-17-5-2-1-3-6-17/h1-3,5-8,15,24H,4,9-14,16,21H2.
What are the key properties of 3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol?
3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol has a molecular weight of 357.45 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-[benzyl(morpholin-4-yl)amino]phenoxy]propan-1-ol is sourced from PubChem (CID 91478693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).