N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine

C11H16FNO — CID 64855008

IUPACN-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
SMILESCCNCCOc1cc(C)ccc1F
InChIInChI=1S/C11H16FNO/c1-3-13-6-7-14-11-8-9(2)4-5-10(11)12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyJQVJSVOQMQSBAD-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.12
Rot. Bonds5

About N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine

N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine (PubChem CID 64855008) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
PubChem CID64855008
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC NameN-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
SMILESCCNCCOc1cc(C)ccc1F
InChIInChI=1S/C11H16FNO/c1-3-13-6-7-14-11-8-9(2)4-5-10(11)12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyJQVJSVOQMQSBAD-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
CID 64854707
N-[2-(2-fluoro-5-methylphenoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 64855858
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 64853522
2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
CID 27186818
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile
CID 107931973
N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine
CID 64854812
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine (CID 64855008) is N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine is CCNCCOc1cc(C)ccc1F.
What is the InChIKey of N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine?
The InChIKey is JQVJSVOQMQSBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-13-6-7-14-11-8-9(2)4-5-10(11)12/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine?
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine has a molecular weight of 197.25 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine is sourced from PubChem (CID 64855008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).