N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine

C12H18FNO2 — CID 102987264

IUPACN-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
SMILESCOCCNCCOc1cc(F)ccc1C
InChIInChI=1S/C12H18FNO2/c1-10-3-4-11(13)9-12(10)16-8-6-14-5-7-15-2/h3-4,9,14H,5-8H2,1-2H3
InChIKeyUPCLFVJBXRABMS-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.75
Rot. Bonds7

About N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine

N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine (PubChem CID 102987264) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
PubChem CID102987264
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC NameN-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
SMILESCOCCNCCOc1cc(F)ccc1C
InChIInChI=1S/C12H18FNO2/c1-10-3-4-11(13)9-12(10)16-8-6-14-5-7-15-2/h3-4,9,14H,5-8H2,1-2H3
InChIKeyUPCLFVJBXRABMS-UHFFFAOYSA-N
XLogP1.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.75
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

N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 102987235
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 102986518
N-[2-(5-bromo-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 107286415
N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 102987275
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
CID 102986467
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyethanamine;oxalic acid
CID 2865464
N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352
2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
CID 102981403
6-(5-fluoro-2-methylphenoxy)hexane-1-thiol
CID 102988847
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
N-[2-(4-bromo-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 62598740

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine (CID 102987264) is N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine is COCCNCCOc1cc(F)ccc1C.
What is the InChIKey of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine?
The InChIKey is UPCLFVJBXRABMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-10-3-4-11(13)9-12(10)16-8-6-14-5-7-15-2/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine?
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine has a molecular weight of 227.28 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine is sourced from PubChem (CID 102987264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).