1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine

C14H21F2NO2 — CID 79887772

IUPAC1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
SMILESCCOCCOc1c(F)cc(CC(N)CC)cc1F
InChIInChI=1S/C14H21F2NO2/c1-3-11(17)7-10-8-12(15)14(13(16)9-10)19-6-5-18-4-2/h8-9,11H,3-7,17H2,1-2H3
InChIKeyQOFRRWSNKJUSPO-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.66
Rot. Bonds8

About 1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine

1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine (PubChem CID 79887772) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
PubChem CID79887772
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
SMILESCCOCCOc1c(F)cc(CC(N)CC)cc1F
InChIInChI=1S/C14H21F2NO2/c1-3-11(17)7-10-8-12(15)14(13(16)9-10)19-6-5-18-4-2/h8-9,11H,3-7,17H2,1-2H3
InChIKeyQOFRRWSNKJUSPO-UHFFFAOYSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.66
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-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080
1-[3,5-difluoro-4-(3-methylsulfonylpropoxy)phenyl]butan-2-amine
CID 79882804
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
1-[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887693
1-(4-but-2-ynoxy-3,5-difluorophenyl)butan-2-amine
CID 79887773
1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 106455652
1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
CID 79887538
1-[3,5-dibromo-4-[2-(2-methoxyethoxy)ethoxy]phenyl]butan-2-amine
CID 107740015
2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine
CID 79888054
1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine
CID 79882803
1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
CID 79888395
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine (CID 79887772) is 1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine is CCOCCOc1c(F)cc(CC(N)CC)cc1F.
What is the InChIKey of 1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine?
The InChIKey is QOFRRWSNKJUSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-3-11(17)7-10-8-12(15)14(13(16)9-10)19-6-5-18-4-2/h8-9,11H,3-7,17H2,1-2H3.
What are the key properties of 1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine?
1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine has a molecular weight of 273.32 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine is sourced from PubChem (CID 79887772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).