4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol

C16H26N2O3 — CID 114948386

IUPAC4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol
SMILESCN(CCCOc1ccccc1N)CC1(O)CCOCC1
InChIInChI=1S/C16H26N2O3/c1-18(13-16(19)7-11-20-12-8-16)9-4-10-21-15-6-3-2-5-14(15)17/h2-3,5-6,19H,4,7-13,17H2,1H3
InChIKeyQEMYAHMNZPGRDG-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.51
Rot. Bonds7

About 4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol

4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol (PubChem CID 114948386) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol
PubChem CID114948386
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol
SMILESCN(CCCOc1ccccc1N)CC1(O)CCOCC1
InChIInChI=1S/C16H26N2O3/c1-18(13-16(19)7-11-20-12-8-16)9-4-10-21-15-6-3-2-5-14(15)17/h2-3,5-6,19H,4,7-13,17H2,1H3
InChIKeyQEMYAHMNZPGRDG-UHFFFAOYSA-N
XLogP1.51
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.51
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

4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
CID 115746956
4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol
CID 114948475
4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol
CID 115746964
4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol
CID 114948588
4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol
CID 115746915
4-[[5-chloropentyl(methyl)amino]methyl]oxan-4-ol
CID 114952437
2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418
4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol
CID 114948407
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
2-[3-[methyl(3-methylsulfanylpropyl)amino]propoxy]aniline
CID 114236527

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol (CID 114948386) is 4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol is CN(CCCOc1ccccc1N)CC1(O)CCOCC1.
What is the InChIKey of 4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol?
The InChIKey is QEMYAHMNZPGRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-18(13-16(19)7-11-20-12-8-16)9-4-10-21-15-6-3-2-5-14(15)17/h2-3,5-6,19H,4,7-13,17H2,1H3.
What are the key properties of 4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol?
4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol has a molecular weight of 294.39 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).