(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol

C11H15F2NO2 — CID 93033134

IUPAC(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1ccccc1OC(F)F
InChIInChI=1S/C11H15F2NO2/c1-8(15)6-14-7-9-4-2-3-5-10(9)16-11(12)13/h2-5,8,11,14-15H,6-7H2,1H3/t8-/m1/s1
InChIKeyIJBIFUKSVNSUHU-MRVPVSSYSA-N
MW231.24 g/mol
LogP1.76
Rot. Bonds6

About (2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol

(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol (PubChem CID 93033134) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is (2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
PubChem CID93033134
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1ccccc1OC(F)F
InChIInChI=1S/C11H15F2NO2/c1-8(15)6-14-7-9-4-2-3-5-10(9)16-11(12)13/h2-5,8,11,14-15H,6-7H2,1H3/t8-/m1/s1
InChIKeyIJBIFUKSVNSUHU-MRVPVSSYSA-N
XLogP1.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
CID 115655473
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115763988
1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
CID 111468040
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
2-[[2-(difluoromethoxy)phenyl]methylamino]-1-(furan-2-yl)ethanol
CID 110888248
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol (CID 93033134) is (2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol is C[C@@H](O)CNCc1ccccc1OC(F)F.
What is the InChIKey of (2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol?
The InChIKey is IJBIFUKSVNSUHU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-8(15)6-14-7-9-4-2-3-5-10(9)16-11(12)13/h2-5,8,11,14-15H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol?
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol has a molecular weight of 231.24 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 93033134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).