N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine

C14H21F2NO2 — CID 62571632

IUPACN-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCOc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO2/c1-2-18-9-4-3-7-17-8-10-19-14-6-5-12(15)11-13(14)16/h5-6,11,17H,2-4,7-10H2,1H3
InChIKeyQBRBPGVGZLWQHJ-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.75
Rot. Bonds10

About N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine

N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine (PubChem CID 62571632) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine
PubChem CID62571632
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC NameN-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCOc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO2/c1-2-18-9-4-3-7-17-8-10-19-14-6-5-12(15)11-13(14)16/h5-6,11,17H,2-4,7-10H2,1H3
InChIKeyQBRBPGVGZLWQHJ-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.75
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

2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 55088257
3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 60689845
N-[2-(2,4-difluorophenyl)sulfanylethyl]-3-ethoxypropan-1-amine
CID 62576568
3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
CID 64854707
1-[2-(2,4-difluorophenoxy)ethyl]-2-(3-ethoxypropyl)guanidine
CID 111752215
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103290316
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 62571642
4-(2-bromo-4-fluorophenoxy)-N-propylbutan-1-amine
CID 62450934
N-[2-(2,4-difluorophenyl)sulfanylethyl]-2-ethoxyethanamine
CID 55092391
N-[2-(2-bromo-4-fluorophenoxy)ethyl]-2-butoxyethanamine
CID 62572554

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine?
The IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine (CID 62571632) is N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine is CCOCCCCNCCOc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine?
The InChIKey is QBRBPGVGZLWQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-2-18-9-4-3-7-17-8-10-19-14-6-5-12(15)11-13(14)16/h5-6,11,17H,2-4,7-10H2,1H3.
What are the key properties of N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine?
N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine is sourced from PubChem (CID 62571632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).