N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine

C14H20F3NO2 — CID 103783679

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCCOc1cc(CNC(C)CC(F)(F)F)ccc1OC
InChIInChI=1S/C14H20F3NO2/c1-4-20-13-7-11(5-6-12(13)19-3)9-18-10(2)8-14(15,16)17/h5-7,10,18H,4,8-9H2,1-3H3
InChIKeyKYZJSEWBLZCKIR-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.52
Rot. Bonds7

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine (PubChem CID 103783679) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine
PubChem CID103783679
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCCOc1cc(CNC(C)CC(F)(F)F)ccc1OC
InChIInChI=1S/C14H20F3NO2/c1-4-20-13-7-11(5-6-12(13)19-3)9-18-10(2)8-14(15,16)17/h5-7,10,18H,4,8-9H2,1-3H3
InChIKeyKYZJSEWBLZCKIR-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine with MolForge

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Related Compounds

1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine
CID 63988275
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115697731
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103901641
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 104854712
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
CID 114985562

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine (CID 103783679) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine is CCOc1cc(CNC(C)CC(F)(F)F)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine?
The InChIKey is KYZJSEWBLZCKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-4-20-13-7-11(5-6-12(13)19-3)9-18-10(2)8-14(15,16)17/h5-7,10,18H,4,8-9H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine has a molecular weight of 291.31 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 103783679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).