3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine

C14H22FNO2 — CID 64854707

IUPAC3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOc1cc(C)ccc1F
InChIInChI=1S/C14H22FNO2/c1-3-17-9-4-7-16-8-10-18-14-11-12(2)5-6-13(14)15/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyJEEVYDCPDSGDMG-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.53
Rot. Bonds9

About 3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine

3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine (PubChem CID 64854707) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
PubChem CID64854707
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOc1cc(C)ccc1F
InChIInChI=1S/C14H22FNO2/c1-3-17-9-4-7-16-8-10-18-14-11-12(2)5-6-13(14)15/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyJEEVYDCPDSGDMG-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.53
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

N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
N-[2-(2-fluoro-5-methylphenoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 64855858
3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 60689845
N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine
CID 62571632
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
CID 62573018
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103290316
2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
CID 62598558
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 64853522

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine (CID 64854707) is 3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine is CCOCCCNCCOc1cc(C)ccc1F.
What is the InChIKey of 3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine?
The InChIKey is JEEVYDCPDSGDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-17-9-4-7-16-8-10-18-14-11-12(2)5-6-13(14)15/h5-6,11,16H,3-4,7-10H2,1-2H3.
What are the key properties of 3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine?
3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 64854707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).