2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine

C12H16F3NO2 — CID 117412105

IUPAC2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(C(F)(F)F)cc1OC
InChIInChI=1S/C12H16F3NO2/c1-11(2,16)7-5-9(17-3)10(18-4)6-8(7)12(13,14)15/h5-6H,16H2,1-4H3
InChIKeyRZTKYBCVJFWWBE-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.92
Rot. Bonds3

About 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine

2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 117412105) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID117412105
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(C(F)(F)F)cc1OC
InChIInChI=1S/C12H16F3NO2/c1-11(2,16)7-5-9(17-3)10(18-4)6-8(7)12(13,14)15/h5-6H,16H2,1-4H3
InChIKeyRZTKYBCVJFWWBE-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117337731
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117380356
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
CID 117355507
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine
CID 117386623
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350
2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84783245
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine (CID 117412105) is 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine is COc1cc(C(C)(C)N)c(C(F)(F)F)cc1OC.
What is the InChIKey of 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is RZTKYBCVJFWWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-11(2,16)7-5-9(17-3)10(18-4)6-8(7)12(13,14)15/h5-6H,16H2,1-4H3.
What are the key properties of 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine?
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 263.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117412105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).