N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine

C13H19F2NO2 — CID 115655473

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNCc1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-3-17-10(2)8-16-9-11-6-4-5-7-12(11)18-13(14)15/h4-7,10,13,16H,3,8-9H2,1-2H3
InChIKeyJCFKSRZKBZYEBX-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.80
Rot. Bonds8

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine (PubChem CID 115655473) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
PubChem CID115655473
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNCc1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-3-17-10(2)8-16-9-11-6-4-5-7-12(11)18-13(14)15/h4-7,10,13,16H,3,8-9H2,1-2H3
InChIKeyJCFKSRZKBZYEBX-UHFFFAOYSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115763988
2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid
CID 113477259
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115696018
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
CID 111468040
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine (CID 115655473) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine is CCOC(C)CNCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine?
The InChIKey is JCFKSRZKBZYEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-17-10(2)8-16-9-11-6-4-5-7-12(11)18-13(14)15/h4-7,10,13,16H,3,8-9H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine has a molecular weight of 259.30 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine is sourced from PubChem (CID 115655473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).