3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol

C13H20FNO — CID 145014775

IUPAC3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol
SMILESCNc1cc(C(C)(C)F)ccc1CCCO
InChIInChI=1S/C13H20FNO/c1-13(2,14)11-7-6-10(5-4-8-16)12(9-11)15-3/h6-7,9,15-16H,4-5,8H2,1-3H3
InChIKeyGDUOFCJODRIACX-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.86
Rot. Bonds5

About 3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol

3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol (PubChem CID 145014775) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol
PubChem CID145014775
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol
SMILESCNc1cc(C(C)(C)F)ccc1CCCO
InChIInChI=1S/C13H20FNO/c1-13(2,14)11-7-6-10(5-4-8-16)12(9-11)15-3/h6-7,9,15-16H,4-5,8H2,1-3H3
InChIKeyGDUOFCJODRIACX-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol?
The IUPAC name of 3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol (CID 145014775) is 3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol?
The canonical SMILES for 3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol is CNc1cc(C(C)(C)F)ccc1CCCO.
What is the InChIKey of 3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol?
The InChIKey is GDUOFCJODRIACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,14)11-7-6-10(5-4-8-16)12(9-11)15-3/h6-7,9,15-16H,4-5,8H2,1-3H3.
What are the key properties of 3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol?
3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoropropan-2-yl)-2-(methylamino)phenyl]propan-1-ol is sourced from PubChem (CID 145014775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).