N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine

C13H19F2NO3 — CID 43627884

IUPACN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1cccc(OC)c1OC(F)F
InChIInChI=1S/C13H19F2NO3/c1-3-18-8-7-16-9-10-5-4-6-11(17-2)12(10)19-13(14)15/h4-6,13,16H,3,7-9H2,1-2H3
InChIKeyXXEMWIZKOLZDLN-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.42
Rot. Bonds9

About N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine (PubChem CID 43627884) has the molecular formula C13H19F2NO3 and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
PubChem CID43627884
Molecular FormulaC13H19F2NO3
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1cccc(OC)c1OC(F)F
InChIInChI=1S/C13H19F2NO3/c1-3-18-8-7-16-9-10-5-4-6-11(17-2)12(10)19-13(14)15/h4-6,13,16H,3,7-9H2,1-2H3
InChIKeyXXEMWIZKOLZDLN-UHFFFAOYSA-N
XLogP2.42
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]ethoxy]acetamide
CID 106235526
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylsulfanylbutan-1-amine
CID 115604448
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-pyrazol-1-ylethanamine
CID 61071668
2-(2,2-difluoroethoxy)-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 103080982
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide
CID 43406329
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584563
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol
CID 106187407
1-N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43406346
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829177
4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol
CID 66089640

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine?
The IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine (CID 43627884) is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine is CCOCCNCc1cccc(OC)c1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine?
The InChIKey is XXEMWIZKOLZDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3/c1-3-18-8-7-16-9-10-5-4-6-11(17-2)12(10)19-13(14)15/h4-6,13,16H,3,7-9H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine?
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine has a molecular weight of 275.29 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine is sourced from PubChem (CID 43627884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).