1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol

C18H29NO2 — CID 79352285

IUPAC1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNC1C(C)(C)C1(C)C
InChIInChI=1S/C18H29NO2/c1-12-8-7-9-13(2)15(12)21-11-14(20)10-19-16-17(3,4)18(16,5)6/h7-9,14,16,19-20H,10-11H2,1-6H3
InChIKeyIZTVIZSJEPWAAI-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.07
Rot. Bonds6

About 1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol

1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol (PubChem CID 79352285) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
PubChem CID79352285
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNC1C(C)(C)C1(C)C
InChIInChI=1S/C18H29NO2/c1-12-8-7-9-13(2)15(12)21-11-14(20)10-19-16-17(3,4)18(16,5)6/h7-9,14,16,19-20H,10-11H2,1-6H3
InChIKeyIZTVIZSJEPWAAI-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol with MolForge

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Related Compounds

1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638
1-[(2,2-dimethylcyclopentyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 79856512
1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632624
1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 106813078
1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol
CID 60903981
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 63296307
1-(2,6-dimethylphenoxy)-3-(2-methylbutylamino)propan-2-ol
CID 62692017
1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633561
1-(2,6-dimethylphenoxy)-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol
CID 80714789
[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-dimethyl-propan-2-ylazanium
CID 3064892
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352877
1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol
CID 60633323

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol (CID 79352285) is 1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol is Cc1cccc(C)c1OCC(O)CNC1C(C)(C)C1(C)C.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The InChIKey is IZTVIZSJEPWAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-8-7-9-13(2)15(12)21-11-14(20)10-19-16-17(3,4)18(16,5)6/h7-9,14,16,19-20H,10-11H2,1-6H3.
What are the key properties of 1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol is sourced from PubChem (CID 79352285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).