1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C12H16F3NO3 — CID 16790008

IUPAC1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1ccc(OC)c(C(N)COCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO3/c1-17-8-3-4-11(18-2)9(5-8)10(16)6-19-7-12(13,14)15/h3-5,10H,6-7,16H2,1-2H3
InChIKeyKMTNKPRXELXKDI-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.28
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 16790008) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID16790008
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1ccc(OC)c(C(N)COCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO3/c1-17-8-3-4-11(18-2)9(5-8)10(16)6-19-7-12(13,14)15/h3-5,10H,6-7,16H2,1-2H3
InChIKeyKMTNKPRXELXKDI-UHFFFAOYSA-N
XLogP2.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016
1-(2-bromo-4,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207094
2-[1-chloro-3-(2,2,2-trifluoroethoxy)propyl]-1,4-dimethoxybenzene
CID 103210551
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207664
1-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712048
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
CID 116934724
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
CID 66515505
1-(2-chloro-4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207413

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 16790008) is 1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine is COc1ccc(OC)c(C(N)COCC(F)(F)F)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is KMTNKPRXELXKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c1-17-8-3-4-11(18-2)9(5-8)10(16)6-19-7-12(13,14)15/h3-5,10H,6-7,16H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 279.26 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 16790008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).