(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol

C10H13F2NO3 — CID 66514880

IUPAC(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@H](N)CO)cc1OC(F)F
InChIInChI=1S/C10H13F2NO3/c1-15-8-3-2-6(7(13)5-14)4-9(8)16-10(11)12/h2-4,7,10,14H,5,13H2,1H3/t7-/m1/s1
InChIKeySVBNYQIBDRNVGC-SSDOTTSWSA-N
MW233.21 g/mol
LogP1.29
Rot. Bonds5

About (2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol

(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol (PubChem CID 66514880) has the molecular formula C10H13F2NO3 and a molecular weight of 233.21 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
PubChem CID66514880
Molecular FormulaC10H13F2NO3
Molecular Weight233.21 g/mol
Exact Mass233.09
IUPAC Name(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@H](N)CO)cc1OC(F)F
InChIInChI=1S/C10H13F2NO3/c1-15-8-3-2-6(7(13)5-14)4-9(8)16-10(11)12/h2-4,7,10,14H,5,13H2,1H3/t7-/m1/s1
InChIKeySVBNYQIBDRNVGC-SSDOTTSWSA-N
XLogP1.29
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol 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

2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 61055320
[5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate
CID 66514971
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
CID 66515047
2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol
CID 84694404
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
CID 16790112
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol (CID 66514880) is (2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol is COc1ccc([C@H](N)CO)cc1OC(F)F.
What is the InChIKey of (2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol?
The InChIKey is SVBNYQIBDRNVGC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13F2NO3/c1-15-8-3-2-6(7(13)5-14)4-9(8)16-10(11)12/h2-4,7,10,14H,5,13H2,1H3/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol?
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol has a molecular weight of 233.21 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol is sourced from PubChem (CID 66514880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).