4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide

C15H26N2O5 — CID 21397689

IUPAC4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide
SMILESCNC=O.COc1cc(O)ccc1OCC(O)CNC(C)C
InChIInChI=1S/C13H21NO4.C2H5NO/c1-9(2)14-7-11(16)8-18-12-5-4-10(15)6-13(12)17-3;1-3-2-4/h4-6,9,11,14-16H,7-8H2,1-3H3;2H,1H3,(H,3,4)
InChIKeyUEPNPRBFBFIGTC-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.50
Rot. Bonds8

About 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide

4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide (PubChem CID 21397689) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide.

Molecular Properties

Compound Name4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide
PubChem CID21397689
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide
SMILESCNC=O.COc1cc(O)ccc1OCC(O)CNC(C)C
InChIInChI=1S/C13H21NO4.C2H5NO/c1-9(2)14-7-11(16)8-18-12-5-4-10(15)6-13(12)17-3;1-3-2-4/h4-6,9,11,14-16H,7-8H2,1-3H3;2H,1H3,(H,3,4)
InChIKeyUEPNPRBFBFIGTC-UHFFFAOYSA-N
XLogP0.50
TPSA100.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-4-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol;N-methylformamide
CID 21397706
1-(4-amino-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154192524
1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107664454
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzonitrile
CID 43166080
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 115475920
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089660
3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849672
(2S)-1-(4-bromo-2-prop-2-enoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 125487722

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide?
The IUPAC name of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide (CID 21397689) is 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide.
What is the SMILES notation for 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide?
The canonical SMILES for 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide is CNC=O.COc1cc(O)ccc1OCC(O)CNC(C)C.
What is the InChIKey of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide?
The InChIKey is UEPNPRBFBFIGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4.C2H5NO/c1-9(2)14-7-11(16)8-18-12-5-4-10(15)6-13(12)17-3;1-3-2-4/h4-6,9,11,14-16H,7-8H2,1-3H3;2H,1H3,(H,3,4).
What are the key properties of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide?
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide has a molecular weight of 314.38 g/mol, XLogP of 0.50, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenol;N-methylformamide is sourced from PubChem (CID 21397689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).