4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol

C16H26N2O3 — CID 114948588

IUPAC4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol
SMILESCN(CCOc1cccc(CN)c1)CC1(O)CCOCC1
InChIInChI=1S/C16H26N2O3/c1-18(13-16(19)5-8-20-9-6-16)7-10-21-15-4-2-3-14(11-15)12-17/h2-4,11,19H,5-10,12-13,17H2,1H3
InChIKeyCVKFLLUVKNHTHO-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.00
Rot. Bonds7

About 4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol

4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol (PubChem CID 114948588) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol
PubChem CID114948588
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol
SMILESCN(CCOc1cccc(CN)c1)CC1(O)CCOCC1
InChIInChI=1S/C16H26N2O3/c1-18(13-16(19)5-8-20-9-6-16)7-10-21-15-4-2-3-14(11-15)12-17/h2-4,11,19H,5-10,12-13,17H2,1H3
InChIKeyCVKFLLUVKNHTHO-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
CID 114948529
4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol
CID 114948475
4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol
CID 115746915
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol
CID 115669684
1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
CID 114948550
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol
CID 114948386
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol (CID 114948588) is 4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol is CN(CCOc1cccc(CN)c1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol?
The InChIKey is CVKFLLUVKNHTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-18(13-16(19)5-8-20-9-6-16)7-10-21-15-4-2-3-14(11-15)12-17/h2-4,11,19H,5-10,12-13,17H2,1H3.
What are the key properties of 4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol?
4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol has a molecular weight of 294.39 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).