3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol

C10H14FNO — CID 55274065

IUPAC3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol
SMILESCC(C)[C@@H](N)c1cc(O)cc(F)c1
InChIInChI=1S/C10H14FNO/c1-6(2)10(12)7-3-8(11)5-9(13)4-7/h3-6,10,13H,12H2,1-2H3/t10-/m1/s1
InChIKeyNZCMNBOZLJTRPV-SNVBAGLBSA-N
MW183.23 g/mol
LogP2.19
Rot. Bonds2

About 3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol

3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol (PubChem CID 55274065) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol
PubChem CID55274065
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol
SMILESCC(C)[C@@H](N)c1cc(O)cc(F)c1
InChIInChI=1S/C10H14FNO/c1-6(2)10(12)7-3-8(11)5-9(13)4-7/h3-6,10,13H,12H2,1-2H3/t10-/m1/s1
InChIKeyNZCMNBOZLJTRPV-SNVBAGLBSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminopropyl)-5-fluorophenol
CID 55283681
5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol
CID 130642566
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
5-(1-amino-2-methylpropyl)benzene-1,2,3-triol
CID 55270365
(1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine
CID 55278415
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
3,5-difluorophenol
CID 159284632
3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol
CID 130657885
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 43198662
(1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol
CID 131150416

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol?
The IUPAC name of 3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol (CID 55274065) is 3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol.
What is the SMILES notation for 3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol?
The canonical SMILES for 3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol is CC(C)[C@@H](N)c1cc(O)cc(F)c1.
What is the InChIKey of 3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol?
The InChIKey is NZCMNBOZLJTRPV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6(2)10(12)7-3-8(11)5-9(13)4-7/h3-6,10,13H,12H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol?
3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol has a molecular weight of 183.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol is sourced from PubChem (CID 55274065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).