2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol

C12H17F2NO2 — CID 84705086

IUPAC2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol
SMILESCOc1c(C(F)F)cc(C)cc1C(O)C(C)N
InChIInChI=1S/C12H17F2NO2/c1-6-4-8(10(16)7(2)15)11(17-3)9(5-6)12(13)14/h4-5,7,10,12,16H,15H2,1-3H3
InChIKeyYEENAPPJZUFQTR-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.32
Rot. Bonds4

About 2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol

2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol (PubChem CID 84705086) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol
PubChem CID84705086
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol
SMILESCOc1c(C(F)F)cc(C)cc1C(O)C(C)N
InChIInChI=1S/C12H17F2NO2/c1-6-4-8(10(16)7(2)15)11(17-3)9(5-6)12(13)14/h4-5,7,10,12,16H,15H2,1-3H3
InChIKeyYEENAPPJZUFQTR-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine
CID 84681000
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059
3-(1-aminoethyl)-2-methoxy-5-methylaniline
CID 82630793
N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine
CID 117308984
2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol
CID 22041745
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
CID 117355108
1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948093
2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 84694392
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409617

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol?
The IUPAC name of 2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol (CID 84705086) is 2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol is COc1c(C(F)F)cc(C)cc1C(O)C(C)N.
What is the InChIKey of 2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol?
The InChIKey is YEENAPPJZUFQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-6-4-8(10(16)7(2)15)11(17-3)9(5-6)12(13)14/h4-5,7,10,12,16H,15H2,1-3H3.
What are the key properties of 2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol?
2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol is sourced from PubChem (CID 84705086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).