4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol

C15H24N2O3 — CID 114948475

IUPAC4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol
SMILESCN(CCOc1ccc(N)cc1)CC1(O)CCOCC1
InChIInChI=1S/C15H24N2O3/c1-17(12-15(18)6-9-19-10-7-15)8-11-20-14-4-2-13(16)3-5-14/h2-5,18H,6-12,16H2,1H3
InChIKeyHBWKUJSKHZEDCR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.12
Rot. Bonds6

About 4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol

4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol (PubChem CID 114948475) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol
PubChem CID114948475
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol
SMILESCN(CCOc1ccc(N)cc1)CC1(O)CCOCC1
InChIInChI=1S/C15H24N2O3/c1-17(12-15(18)6-9-19-10-7-15)8-11-20-14-4-2-13(16)3-5-14/h2-5,18H,6-12,16H2,1H3
InChIKeyHBWKUJSKHZEDCR-UHFFFAOYSA-N
XLogP1.12
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol
CID 115746915
4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol
CID 114948588
4-[(4-aminophenoxy)methyl]oxan-4-ol
CID 123445715
4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol
CID 114948386
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
CID 114948550
4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
CID 61431012
2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
CID 114243002
3-(4-aminophenyl)-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114950105
4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline
CID 63726412
4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
CID 115746956
4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol
CID 114948407

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol (CID 114948475) is 4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol is CN(CCOc1ccc(N)cc1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol?
The InChIKey is HBWKUJSKHZEDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-17(12-15(18)6-9-19-10-7-15)8-11-20-14-4-2-13(16)3-5-14/h2-5,18H,6-12,16H2,1H3.
What are the key properties of 4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol?
4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol has a molecular weight of 280.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).