1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C16H27NO4 — CID 106989494

IUPAC1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCc1ccccc1CNCC(O)COC(C)COC
InChIInChI=1S/C16H27NO4/c1-13(10-19-2)21-12-16(18)9-17-8-14-6-4-5-7-15(14)11-20-3/h4-7,13,16-18H,8-12H2,1-3H3
InChIKeyIVBBTUDCPMZSOM-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.34
Rot. Bonds11

About 1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989494) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989494
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCc1ccccc1CNCC(O)COC(C)COC
InChIInChI=1S/C16H27NO4/c1-13(10-19-2)21-12-16(18)9-17-8-14-6-4-5-7-15(14)11-20-3/h4-7,13,16-18H,8-12H2,1-3H3
InChIKeyIVBBTUDCPMZSOM-UHFFFAOYSA-N
XLogP1.34
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989374
1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 106989341
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990390
1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 106989853
1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol
CID 62368265
2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
CID 114331941
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
CID 106989088
1-(1-methoxypropan-2-yloxy)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 106989577
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
CID 106990619
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989494) is 1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCc1ccccc1CNCC(O)COC(C)COC.
What is the InChIKey of 1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is IVBBTUDCPMZSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-13(10-19-2)21-12-16(18)9-17-8-14-6-4-5-7-15(14)11-20-3/h4-7,13,16-18H,8-12H2,1-3H3.
What are the key properties of 1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 1.34, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).