1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine

C13H19F2NO2 — CID 43590705

IUPAC1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO2/c1-3-17-9-8-16-10(2)11-4-6-12(7-5-11)18-13(14)15/h4-7,10,13,16H,3,8-9H2,1-2H3
InChIKeyUINZCNFFOIXGRC-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.98
Rot. Bonds8

About 1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine

1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine (PubChem CID 43590705) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
PubChem CID43590705
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO2/c1-3-17-9-8-16-10(2)11-4-6-12(7-5-11)18-13(14)15/h4-7,10,13,16H,3,8-9H2,1-2H3
InChIKeyUINZCNFFOIXGRC-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
(1R)-1-(4-chlorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 81353277
N'-[1-[4-(difluoromethoxy)phenyl]ethyl]butane-1,4-diamine
CID 60895427
N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine
CID 43403695
N-[1-[4-(difluoromethoxy)phenyl]ethyl]pent-3-yn-1-amine
CID 104758071
1-[4-(difluoromethoxy)phenyl]-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 103778139
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708669
4-[1-(2-ethoxyethylamino)ethyl]benzonitrile
CID 43590856
N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
CID 43103925
4-[1-[4-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 54920730
1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
CID 43201404
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
CID 65031608

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine (CID 43590705) is 1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine is CCOCCNC(C)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine?
The InChIKey is UINZCNFFOIXGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-17-9-8-16-10(2)11-4-6-12(7-5-11)18-13(14)15/h4-7,10,13,16H,3,8-9H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine?
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine has a molecular weight of 259.30 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 43590705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).