4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol

C11H15F2NO3 — CID 114093294

IUPAC4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNCC(O)C(F)F)ccc1O
InChIInChI=1S/C11H15F2NO3/c1-17-10-4-7(2-3-8(10)15)5-14-6-9(16)11(12)13/h2-4,9,11,14-16H,5-6H2,1H3
InChIKeyKDVPYAFRCDGFMY-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.12
Rot. Bonds6

About 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol

4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol (PubChem CID 114093294) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol
PubChem CID114093294
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNCC(O)C(F)F)ccc1O
InChIInChI=1S/C11H15F2NO3/c1-17-10-4-7(2-3-8(10)15)5-14-6-9(16)11(12)13/h2-4,9,11,14-16H,5-6H2,1H3
InChIKeyKDVPYAFRCDGFMY-UHFFFAOYSA-N
XLogP1.12
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-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-[(2-hydroxypentylamino)methyl]-2-methoxyphenol
CID 115978569
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol
CID 111421897
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
4-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methoxyphenol
CID 103953827
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
4-[(4-hydroxybutylamino)methyl]-2-methoxyphenol
CID 106840868
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol
CID 83323480
tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate
CID 107247978
3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731563
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol
CID 62809836
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol (CID 114093294) is 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol is COc1cc(CNCC(O)C(F)F)ccc1O.
What is the InChIKey of 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol?
The InChIKey is KDVPYAFRCDGFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-17-10-4-7(2-3-8(10)15)5-14-6-9(16)11(12)13/h2-4,9,11,14-16H,5-6H2,1H3.
What are the key properties of 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol?
4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol has a molecular weight of 247.24 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 114093294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).