4-(1-amino-2-methylpropyl)-3-fluorophenol

C10H14FNO — CID 55282884

IUPAC4-(1-amino-2-methylpropyl)-3-fluorophenol
SMILESCC(C)C(N)c1ccc(O)cc1F
InChIInChI=1S/C10H14FNO/c1-6(2)10(12)8-4-3-7(13)5-9(8)11/h3-6,10,13H,12H2,1-2H3
InChIKeyHWZRJUXMNNJJKH-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.19
Rot. Bonds2

About 4-(1-amino-2-methylpropyl)-3-fluorophenol

4-(1-amino-2-methylpropyl)-3-fluorophenol (PubChem CID 55282884) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(1-amino-2-methylpropyl)-3-fluorophenol
PubChem CID55282884
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-(1-amino-2-methylpropyl)-3-fluorophenol
SMILESCC(C)C(N)c1ccc(O)cc1F
InChIInChI=1S/C10H14FNO/c1-6(2)10(12)8-4-3-7(13)5-9(8)11/h3-6,10,13H,12H2,1-2H3
InChIKeyHWZRJUXMNNJJKH-UHFFFAOYSA-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

4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-3-fluorophenol
CID 171266739
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3-fluorophenol
CID 171266743
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
2-[(1S)-1-amino-2-methylpropyl]benzene-1,4-diol
CID 55253395
4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol
CID 130690034
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
4-(1-amino-2-methoxyethyl)-3-fluorophenol
CID 55273323
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol
CID 131145624
4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol
CID 131064756

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropyl)-3-fluorophenol?
The IUPAC name of 4-(1-amino-2-methylpropyl)-3-fluorophenol (CID 55282884) is 4-(1-amino-2-methylpropyl)-3-fluorophenol.
What is the SMILES notation for 4-(1-amino-2-methylpropyl)-3-fluorophenol?
The canonical SMILES for 4-(1-amino-2-methylpropyl)-3-fluorophenol is CC(C)C(N)c1ccc(O)cc1F.
What is the InChIKey of 4-(1-amino-2-methylpropyl)-3-fluorophenol?
The InChIKey is HWZRJUXMNNJJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6(2)10(12)8-4-3-7(13)5-9(8)11/h3-6,10,13H,12H2,1-2H3.
What are the key properties of 4-(1-amino-2-methylpropyl)-3-fluorophenol?
4-(1-amino-2-methylpropyl)-3-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 4-(1-amino-2-methylpropyl)-3-fluorophenol is sourced from PubChem (CID 55282884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).