2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine

C10H12F3NO — CID 117311862

IUPAC2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine
SMILESCOc1c(F)cc(F)c(F)c1C(C)(C)N
InChIInChI=1S/C10H12F3NO/c1-10(2,14)7-8(13)5(11)4-6(12)9(7)15-3/h4H,14H2,1-3H3
InChIKeyOOLGSXRBMVHLJG-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.31
Rot. Bonds2

About 2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine

2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine (PubChem CID 117311862) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine
PubChem CID117311862
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine
SMILESCOc1c(F)cc(F)c(F)c1C(C)(C)N
InChIInChI=1S/C10H12F3NO/c1-10(2,14)7-8(13)5(11)4-6(12)9(7)15-3/h4H,14H2,1-3H3
InChIKeyOOLGSXRBMVHLJG-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
CID 84776186
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine
CID 117287323
2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine
CID 84782823
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
CID 117335610
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine
CID 117306665
4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117445518
3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117445523
1,2,3,5-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167118771
2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
CID 117310322
3-(3,5-difluoro-2,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 117437977
1-tert-butyl-3,5-difluoro-2-methoxybenzene
CID 59343854

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine (CID 117311862) is 2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine is COc1c(F)cc(F)c(F)c1C(C)(C)N.
What is the InChIKey of 2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine?
The InChIKey is OOLGSXRBMVHLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-10(2,14)7-8(13)5(11)4-6(12)9(7)15-3/h4H,14H2,1-3H3.
What are the key properties of 2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine?
2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine has a molecular weight of 219.21 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 117311862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).