[4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol

C14H22N2O3 — CID 81205796

IUPAC[4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol
SMILESNc1cccc(OCCCN2CCOC(CO)C2)c1
InChIInChI=1S/C14H22N2O3/c15-12-3-1-4-13(9-12)18-7-2-5-16-6-8-19-14(10-16)11-17/h1,3-4,9,14,17H,2,5-8,10-11,15H2
InChIKeyNRLNKKQGYSEBTA-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.73
Rot. Bonds6

About [4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol

[4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol (PubChem CID 81205796) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol
PubChem CID81205796
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol
SMILESNc1cccc(OCCCN2CCOC(CO)C2)c1
InChIInChI=1S/C14H22N2O3/c15-12-3-1-4-13(9-12)18-7-2-5-16-6-8-19-14(10-16)11-17/h1,3-4,9,14,17H,2,5-8,10-11,15H2
InChIKeyNRLNKKQGYSEBTA-UHFFFAOYSA-N
XLogP0.73
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[3-(2-ethylmorpholin-4-yl)propoxy]aniline
CID 43562250
[4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol
CID 81203703
3-[2-[2-(hydroxymethyl)morpholin-4-yl]ethoxy]benzohydrazide
CID 81214161
[4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholin-2-yl]methanol
CID 81202906
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
3-[3-(1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 62204800
[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol
CID 61406719
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
3-[3-(3-aminophenoxy)propyl]-1,3-oxazolidin-2-one
CID 43365793
2-[2-(phenoxymethyl)morpholin-4-yl]ethanol
CID 102567654
3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline
CID 82364127

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol (CID 81205796) is [4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol is Nc1cccc(OCCCN2CCOC(CO)C2)c1.
What is the InChIKey of [4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol?
The InChIKey is NRLNKKQGYSEBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c15-12-3-1-4-13(9-12)18-7-2-5-16-6-8-19-14(10-16)11-17/h1,3-4,9,14,17H,2,5-8,10-11,15H2.
What are the key properties of [4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol?
[4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81205796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).