2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol

C12H17F2NO2 — CID 84705080

IUPAC2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol
SMILESCOc1ccc(C(C)(F)F)cc1C(O)C(C)N
InChIInChI=1S/C12H17F2NO2/c1-7(15)11(16)9-6-8(12(2,13)14)4-5-10(9)17-3/h4-7,11,16H,15H2,1-3H3
InChIKeyMNVHUVMUFOCXKZ-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol

2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol (PubChem CID 84705080) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol
PubChem CID84705080
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol
SMILESCOc1ccc(C(C)(F)F)cc1C(O)C(C)N
InChIInChI=1S/C12H17F2NO2/c1-7(15)11(16)9-6-8(12(2,13)14)4-5-10(9)17-3/h4-7,11,16H,15H2,1-3H3
InChIKeyMNVHUVMUFOCXKZ-UHFFFAOYSA-N
XLogP2.19
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 117401252
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 84671373
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine
CID 117306672
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol?
The IUPAC name of 2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol (CID 84705080) is 2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol is COc1ccc(C(C)(F)F)cc1C(O)C(C)N.
What is the InChIKey of 2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol?
The InChIKey is MNVHUVMUFOCXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-7(15)11(16)9-6-8(12(2,13)14)4-5-10(9)17-3/h4-7,11,16H,15H2,1-3H3.
What are the key properties of 2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol?
2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol is sourced from PubChem (CID 84705080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).