1-(3-fluorophenyl)-1-(methylamino)propan-2-ol

C10H14FNO — CID 91162547

IUPAC1-(3-fluorophenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1cccc(F)c1)C(C)O
InChIInChI=1S/C10H14FNO/c1-7(13)10(12-2)8-4-3-5-9(11)6-8/h3-7,10,12-13H,1-2H3
InChIKeyQCTRRDMPLYQAEM-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.47
Rot. Bonds3

About 1-(3-fluorophenyl)-1-(methylamino)propan-2-ol

1-(3-fluorophenyl)-1-(methylamino)propan-2-ol (PubChem CID 91162547) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(methylamino)propan-2-ol
PubChem CID91162547
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-(3-fluorophenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1cccc(F)c1)C(C)O
InChIInChI=1S/C10H14FNO/c1-7(13)10(12-2)8-4-3-5-9(11)6-8/h3-7,10,12-13H,1-2H3
InChIKeyQCTRRDMPLYQAEM-UHFFFAOYSA-N
XLogP1.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-1-(methylamino)propan-2-ol (CID 91162547) is 1-(3-fluorophenyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-1-(methylamino)propan-2-ol is CNC(c1cccc(F)c1)C(C)O.
What is the InChIKey of 1-(3-fluorophenyl)-1-(methylamino)propan-2-ol?
The InChIKey is QCTRRDMPLYQAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7(13)10(12-2)8-4-3-5-9(11)6-8/h3-7,10,12-13H,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-(methylamino)propan-2-ol?
1-(3-fluorophenyl)-1-(methylamino)propan-2-ol has a molecular weight of 183.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 91162547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).