(1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine

C12H16F3NO3 — CID 103694284

IUPAC(1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c([C@H](N)CC(F)(F)F)cc1OC
InChIInChI=1S/C12H16F3NO3/c1-17-9-5-11(19-3)10(18-2)4-7(9)8(16)6-12(13,14)15/h4-5,8H,6,16H2,1-3H3/t8-/m1/s1
InChIKeyJQADFVPWHMTCTJ-MRVPVSSYSA-N
MW279.26 g/mol
LogP2.66
Rot. Bonds5

About (1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine

(1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine (PubChem CID 103694284) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine
PubChem CID103694284
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name(1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c([C@H](N)CC(F)(F)F)cc1OC
InChIInChI=1S/C12H16F3NO3/c1-17-9-5-11(19-3)10(18-2)4-7(9)8(16)6-12(13,14)15/h4-5,8H,6,16H2,1-3H3/t8-/m1/s1
InChIKeyJQADFVPWHMTCTJ-MRVPVSSYSA-N
XLogP2.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-bromo-4,5-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171198881
(1R)-4,4,4-trifluoro-1-(2,4,5-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171199538
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171214345
3-methyl-1-(2,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933618
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
(1S)-3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171219378
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542
4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)pentan-1-amine
CID 115849727
(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3,3,3-trifluoropropan-1-amine
CID 171235561
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
1-(2,4,5-trimethoxyphenyl)but-3-yn-1-amine
CID 114976960

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine (CID 103694284) is (1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine is COc1cc(OC)c([C@H](N)CC(F)(F)F)cc1OC.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine?
The InChIKey is JQADFVPWHMTCTJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c1-17-9-5-11(19-3)10(18-2)4-7(9)8(16)6-12(13,14)15/h4-5,8H,6,16H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine?
(1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine has a molecular weight of 279.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 103694284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).