2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol

C14H21NO3 — CID 64811391

IUPAC2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
SMILESCNC(CO)(COc1ccccc1CO)C1CC1
InChIInChI=1S/C14H21NO3/c1-15-14(9-17,12-6-7-12)10-18-13-5-3-2-4-11(13)8-16/h2-5,12,15-17H,6-10H2,1H3
InChIKeyXBNHIIHHZZOEMG-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.92
Rot. Bonds7

About 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol

2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol (PubChem CID 64811391) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
PubChem CID64811391
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
SMILESCNC(CO)(COc1ccccc1CO)C1CC1
InChIInChI=1S/C14H21NO3/c1-15-14(9-17,12-6-7-12)10-18-13-5-3-2-4-11(13)8-16/h2-5,12,15-17H,6-10H2,1H3
InChIKeyXBNHIIHHZZOEMG-UHFFFAOYSA-N
XLogP0.92
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile
CID 63906328
2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile
CID 63906534
2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol
CID 64809544
2-amino-2-cyclopropyl-3-[2-(2-hydroxyethyl)phenoxy]propan-1-ol
CID 107714233
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64809091
[2-(cyclobutylmethoxy)phenyl]methanol
CID 58083532
1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494372
2-(ethylamino)-3-[2-(hydroxymethyl)phenoxy]-2-methylpropanenitrile
CID 63654510
[2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol
CID 7380355
2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol
CID 64802024
3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol
CID 64806249
2-cyclopropyl-2-(methylamino)-3-(2-methylpropoxy)propan-1-ol
CID 64802778

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol (CID 64811391) is 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol is CNC(CO)(COc1ccccc1CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
The InChIKey is XBNHIIHHZZOEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15-14(9-17,12-6-7-12)10-18-13-5-3-2-4-11(13)8-16/h2-5,12,15-17H,6-10H2,1H3.
What are the key properties of 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64811391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).