3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol

C10H14FNO2 — CID 105425939

IUPAC3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)cc1C(C)(F)CN
InChIInChI=1S/C10H14FNO2/c1-10(11,6-12)8-5-7(13)3-4-9(8)14-2/h3-5,13H,6,12H2,1-2H3
InChIKeyLWSOAIKQELSYFI-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.54
Rot. Bonds3

About 3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol

3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol (PubChem CID 105425939) has the molecular formula C10H14FNO2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol.

Molecular Properties

Compound Name3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol
PubChem CID105425939
Molecular FormulaC10H14FNO2
Molecular Weight199.23 g/mol
Exact Mass199.10
IUPAC Name3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)cc1C(C)(F)CN
InChIInChI=1S/C10H14FNO2/c1-10(11,6-12)8-5-7(13)3-4-9(8)14-2/h3-5,13H,6,12H2,1-2H3
InChIKeyLWSOAIKQELSYFI-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol
CID 105426160
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 105425938
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol
CID 105426373
4-methoxy-3-(trifluoromethoxy)phenol
CID 67275723
phenyl 2-(5-hydroxy-2-methoxyphenyl)-2-methylpropanoate
CID 91467152
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
CID 167312142
ethane;3-methoxy-4-(trifluoromethoxy)phenol
CID 142516973
5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol
CID 105425996
4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol
CID 166611038

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol?
The IUPAC name of 3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol (CID 105425939) is 3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol.
What is the SMILES notation for 3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol?
The canonical SMILES for 3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol is COc1ccc(O)cc1C(C)(F)CN.
What is the InChIKey of 3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol?
The InChIKey is LWSOAIKQELSYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-10(11,6-12)8-5-7(13)3-4-9(8)14-2/h3-5,13H,6,12H2,1-2H3.
What are the key properties of 3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol?
3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol has a molecular weight of 199.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol is sourced from PubChem (CID 105425939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).