1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol

C12H17F2NO3 — CID 83323480

IUPAC1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol
SMILESCOc1cc(CNCC(C)O)ccc1OC(F)F
InChIInChI=1S/C12H17F2NO3/c1-8(16)6-15-7-9-3-4-10(18-12(13)14)11(5-9)17-2/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyAVODMACXLTUZQC-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.77
Rot. Bonds7

About 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol

1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol (PubChem CID 83323480) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol
PubChem CID83323480
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol
SMILESCOc1cc(CNCC(C)O)ccc1OC(F)F
InChIInChI=1S/C12H17F2NO3/c1-8(16)6-15-7-9-3-4-10(18-12(13)14)11(5-9)17-2/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyAVODMACXLTUZQC-UHFFFAOYSA-N
XLogP1.77
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol with MolForge

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Related Compounds

1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
1-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol;oxalic acid
CID 45074838
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
CID 115581156
1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
CID 54849084
(2R)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]propan-2-ol
CID 103884180
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
(2S)-1-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51560581
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 51435290

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol?
The IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol (CID 83323480) is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol is COc1cc(CNCC(C)O)ccc1OC(F)F.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol?
The InChIKey is AVODMACXLTUZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c1-8(16)6-15-7-9-3-4-10(18-12(13)14)11(5-9)17-2/h3-5,8,12,15-16H,6-7H2,1-2H3.
What are the key properties of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol?
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol has a molecular weight of 261.27 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol is sourced from PubChem (CID 83323480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).