1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine

C11H14F3NO2 — CID 112693542

IUPAC1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCOc1cccc(C(N)CC(F)(F)F)c1OC
InChIInChI=1S/C11H14F3NO2/c1-16-9-5-3-4-7(10(9)17-2)8(15)6-11(12,13)14/h3-5,8H,6,15H2,1-2H3
InChIKeyGYJAJZCMEBOCCY-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.66
Rot. Bonds4

About 1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine

1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 112693542) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID112693542
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCOc1cccc(C(N)CC(F)(F)F)c1OC
InChIInChI=1S/C11H14F3NO2/c1-16-9-5-3-4-7(10(9)17-2)8(15)6-11(12,13)14/h3-5,8H,6,15H2,1-2H3
InChIKeyGYJAJZCMEBOCCY-UHFFFAOYSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171219378
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(1S)-1-(2,3-dimethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66510258
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031814
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
1-(2,3-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105174573
(1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 103694284
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515400
(1R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171200452

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine (CID 112693542) is 1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine is COc1cccc(C(N)CC(F)(F)F)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is GYJAJZCMEBOCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-16-9-5-3-4-7(10(9)17-2)8(15)6-11(12,13)14/h3-5,8H,6,15H2,1-2H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine?
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 249.23 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 112693542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).