2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol

C11H15F2NO2 — CID 84694392

IUPAC2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
SMILESCOc1cccc(C(F)F)c1C(O)C(C)N
InChIInChI=1S/C11H15F2NO2/c1-6(14)10(15)9-7(11(12)13)4-3-5-8(9)16-2/h3-6,10-11,15H,14H2,1-2H3
InChIKeyRNFFPIIAZGUIJS-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.01
Rot. Bonds4

About 2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol

2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol (PubChem CID 84694392) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
PubChem CID84694392
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
SMILESCOc1cccc(C(F)F)c1C(O)C(C)N
InChIInChI=1S/C11H15F2NO2/c1-6(14)10(15)9-7(11(12)13)4-3-5-8(9)16-2/h3-6,10-11,15H,14H2,1-2H3
InChIKeyRNFFPIIAZGUIJS-UHFFFAOYSA-N
XLogP2.01
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171267104
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171261410
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol?
The IUPAC name of 2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol (CID 84694392) is 2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol is COc1cccc(C(F)F)c1C(O)C(C)N.
What is the InChIKey of 2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol?
The InChIKey is RNFFPIIAZGUIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-6(14)10(15)9-7(11(12)13)4-3-5-8(9)16-2/h3-6,10-11,15H,14H2,1-2H3.
What are the key properties of 2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol?
2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol has a molecular weight of 231.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol is sourced from PubChem (CID 84694392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).