1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol

C14H21NO2 — CID 43090638

IUPAC1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNC1CC1
InChIInChI=1S/C14H21NO2/c1-10-4-3-5-11(2)14(10)17-9-13(16)8-15-12-6-7-12/h3-5,12-13,15-16H,6-9H2,1-2H3
InChIKeyZQGUZKYFTVBXDM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds6

About 1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol

1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol (PubChem CID 43090638) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
PubChem CID43090638
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNC1CC1
InChIInChI=1S/C14H21NO2/c1-10-4-3-5-11(2)14(10)17-9-13(16)8-15-12-6-7-12/h3-5,12-13,15-16H,6-9H2,1-2H3
InChIKeyZQGUZKYFTVBXDM-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632624
1-[(2,2-dimethylcyclopentyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 79856512
1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352285
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 63296307
1-(2,6-dimethylphenoxy)-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol
CID 80714789
1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 83050665
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383
1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol
CID 60903981
1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol
CID 103289374
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol (CID 43090638) is 1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol is Cc1cccc(C)c1OCC(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol?
The InChIKey is ZQGUZKYFTVBXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-3-5-11(2)14(10)17-9-13(16)8-15-12-6-7-12/h3-5,12-13,15-16H,6-9H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol?
1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 43090638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).