N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine

C14H20F3NO2 — CID 63056447

IUPACN-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)c(OCC(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-13(2,3)18-8-10-5-6-11(19-4)7-12(10)20-9-14(15,16)17/h5-7,18H,8-9H2,1-4H3
InChIKeyGJAFQEAIWWXENO-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.52
Rot. Bonds5

About N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63056447) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63056447
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)c(OCC(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-13(2,3)18-8-10-5-6-11(19-4)7-12(10)20-9-14(15,16)17/h5-7,18H,8-9H2,1-4H3
InChIKeyGJAFQEAIWWXENO-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 81107025
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55148561
N-[[4-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058315
2-[2-[(tert-butylamino)methyl]-5-methoxyphenoxy]acetonitrile
CID 63056618
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056468
N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056628
N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63485491
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978954
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491840

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63056447) is N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine is COc1ccc(CNC(C)(C)C)c(OCC(F)(F)F)c1.
What is the InChIKey of N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GJAFQEAIWWXENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-13(2,3)18-8-10-5-6-11(19-4)7-12(10)20-9-14(15,16)17/h5-7,18H,8-9H2,1-4H3.
What are the key properties of N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63056447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).