2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol

C10H14FNO — CID 146283823

IUPAC2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol
SMILESCc1cc(F)cc(C(C)(C)O)c1N
InChIInChI=1S/C10H14FNO/c1-6-4-7(11)5-8(9(6)12)10(2,3)13/h4-5,13H,12H2,1-3H3
InChIKeyZPLXAEWQIOPDRT-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.94
Rot. Bonds1

About 2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol

2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol (PubChem CID 146283823) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol
PubChem CID146283823
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol
SMILESCc1cc(F)cc(C(C)(C)O)c1N
InChIInChI=1S/C10H14FNO/c1-6-4-7(11)5-8(9(6)12)10(2,3)13/h4-5,13H,12H2,1-3H3
InChIKeyZPLXAEWQIOPDRT-UHFFFAOYSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol?
The IUPAC name of 2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol (CID 146283823) is 2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol is Cc1cc(F)cc(C(C)(C)O)c1N.
What is the InChIKey of 2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol?
The InChIKey is ZPLXAEWQIOPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6-4-7(11)5-8(9(6)12)10(2,3)13/h4-5,13H,12H2,1-3H3.
What are the key properties of 2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol?
2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol has a molecular weight of 183.23 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoro-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 146283823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).