2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol

C16H25NO2 — CID 64809544

IUPAC2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol
SMILESCNC(CO)(COc1c(C)cc(C)cc1C)C1CC1
InChIInChI=1S/C16H25NO2/c1-11-7-12(2)15(13(3)8-11)19-10-16(9-18,17-4)14-5-6-14/h7-8,14,17-18H,5-6,9-10H2,1-4H3
InChIKeyCVUPYIQQVPGDRD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.35
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol

2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol (PubChem CID 64809544) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol
PubChem CID64809544
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol
SMILESCNC(CO)(COc1c(C)cc(C)cc1C)C1CC1
InChIInChI=1S/C16H25NO2/c1-11-7-12(2)15(13(3)8-11)19-10-16(9-18,17-4)14-5-6-14/h7-8,14,17-18H,5-6,9-10H2,1-4H3
InChIKeyCVUPYIQQVPGDRD-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol
CID 64802024
2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64811391
2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol
CID 64808543
2-cyclopropyl-2-(propylamino)-3-(2,4,6-trimethylphenoxy)propanenitrile
CID 63906313
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
CID 102988099
2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
CID 63921165
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119574676
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propan-1-ol
CID 64804840
2,2-dimethyl-3-(2,4,6-trimethylphenoxy)propanethioamide
CID 82087771
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol
CID 64790377

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol (CID 64809544) is 2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol is CNC(CO)(COc1c(C)cc(C)cc1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol?
The InChIKey is CVUPYIQQVPGDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-12(2)15(13(3)8-11)19-10-16(9-18,17-4)14-5-6-14/h7-8,14,17-18H,5-6,9-10H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol?
2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(2,4,6-trimethylphenoxy)propan-1-ol is sourced from PubChem (CID 64809544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).