N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine

C14H21F2NO2 — CID 63062836

IUPACN-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(OCC(F)F)c(CNC(C)(C)C)c1
InChIInChI=1S/C14H21F2NO2/c1-14(2,3)17-8-10-7-11(18-4)5-6-12(10)19-9-13(15)16/h5-7,13,17H,8-9H2,1-4H3
InChIKeyXIQLDMBUYKIUPK-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.23
Rot. Bonds6

About N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine

N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63062836) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID63062836
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC NameN-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(OCC(F)F)c(CNC(C)(C)C)c1
InChIInChI=1S/C14H21F2NO2/c1-14(2,3)17-8-10-7-11(18-4)5-6-12(10)19-9-13(15)16/h5-7,13,17H,8-9H2,1-4H3
InChIKeyXIQLDMBUYKIUPK-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63061280
N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062322
N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056628
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978924
N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63485491
[2-(2,2-difluoroethoxy)-4-methoxyphenyl]methanol
CID 61269046
N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056447
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922402
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 81107025
N-[[4-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058315

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine (CID 63062836) is N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine is COc1ccc(OCC(F)F)c(CNC(C)(C)C)c1.
What is the InChIKey of N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XIQLDMBUYKIUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-14(2,3)17-8-10-7-11(18-4)5-6-12(10)19-9-13(15)16/h5-7,13,17H,8-9H2,1-4H3.
What are the key properties of N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 273.32 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63062836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).