1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine

C13H19F2NO2 — CID 43590715

IUPAC1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H19F2NO2/c1-3-17-8-7-16-10(2)11-5-4-6-12(9-11)18-13(14)15/h4-6,9-10,13,16H,3,7-8H2,1-2H3
InChIKeyDCGSXMDJXXMSRL-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.98
Rot. Bonds8

About 1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine

1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine (PubChem CID 43590715) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
PubChem CID43590715
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H19F2NO2/c1-3-17-8-7-16-10(2)11-5-4-6-12(9-11)18-13(14)15/h4-6,9-10,13,16H,3,7-8H2,1-2H3
InChIKeyDCGSXMDJXXMSRL-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-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894084
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
N-[2-(cyclopropylmethoxy)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 103782765
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
ethyl 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 64577944
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203420

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine (CID 43590715) is 1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine is CCOCCNC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine?
The InChIKey is DCGSXMDJXXMSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-17-8-7-16-10(2)11-5-4-6-12(9-11)18-13(14)15/h4-6,9-10,13,16H,3,7-8H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine?
1-[3-(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-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 43590715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).