1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol

C14H20FNO2 — CID 107657515

IUPAC1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol
SMILESCc1cccc(OCC(C)(O)CNC2CC2)c1F
InChIInChI=1S/C14H20FNO2/c1-10-4-3-5-12(13(10)15)18-9-14(2,17)8-16-11-6-7-11/h3-5,11,16-17H,6-9H2,1-2H3
InChIKeyYBPRUDWEADOOSC-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.02
Rot. Bonds6

About 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol

1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol (PubChem CID 107657515) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol
PubChem CID107657515
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol
SMILESCc1cccc(OCC(C)(O)CNC2CC2)c1F
InChIInChI=1S/C14H20FNO2/c1-10-4-3-5-12(13(10)15)18-9-14(2,17)8-16-11-6-7-11/h3-5,11,16-17H,6-9H2,1-2H3
InChIKeyYBPRUDWEADOOSC-UHFFFAOYSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336227
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile
CID 66335480
1-(5-bromo-2,3-difluorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107097942
1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107283630
1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335627
1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335499
1-(cyclopropylamino)-3-(2-fluoro-4-nitrophenoxy)-2-methylpropan-2-ol
CID 66336708
1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336244
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407
N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627719
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol (CID 107657515) is 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol is Cc1cccc(OCC(C)(O)CNC2CC2)c1F.
What is the InChIKey of 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol?
The InChIKey is YBPRUDWEADOOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10-4-3-5-12(13(10)15)18-9-14(2,17)8-16-11-6-7-11/h3-5,11,16-17H,6-9H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol?
1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol has a molecular weight of 253.32 g/mol, XLogP of 2.02, 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-fluoro-3-methylphenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 107657515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).