3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine

C12H16F3NO2 — CID 132588766

IUPAC3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine
SMILESCCOc1cccc(CC(N)C(F)(F)F)c1OC
InChIInChI=1S/C12H16F3NO2/c1-3-18-9-6-4-5-8(11(9)17-2)7-10(16)12(13,14)15/h4-6,10H,3,7,16H2,1-2H3
InChIKeyMQMRYUMLPWYWNV-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.53
Rot. Bonds5

About 3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine

3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine (PubChem CID 132588766) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine
PubChem CID132588766
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine
SMILESCCOc1cccc(CC(N)C(F)(F)F)c1OC
InChIInChI=1S/C12H16F3NO2/c1-3-18-9-6-4-5-8(11(9)17-2)7-10(16)12(13,14)15/h4-6,10H,3,7,16H2,1-2H3
InChIKeyMQMRYUMLPWYWNV-UHFFFAOYSA-N
XLogP2.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82161429
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1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine
CID 60907393
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CID 170893212
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CID 170879597
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CID 104648823
3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976577
3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977399
1,1,1-trifluoro-3-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 132588692
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
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CID 112693542

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine (CID 132588766) is 3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine is CCOc1cccc(CC(N)C(F)(F)F)c1OC.
What is the InChIKey of 3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is MQMRYUMLPWYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-3-18-9-6-4-5-8(11(9)17-2)7-10(16)12(13,14)15/h4-6,10H,3,7,16H2,1-2H3.
What are the key properties of 3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine?
3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 263.26 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-methoxyphenyl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 132588766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).