N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine

C13H20FNO — CID 79736426

IUPACN-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine
SMILESCCNCCOCCc1ccc(F)c(C)c1
InChIInChI=1S/C13H20FNO/c1-3-15-7-9-16-8-6-12-4-5-13(14)11(2)10-12/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyZTCMHYHHWQHWFF-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.30
Rot. Bonds7

About N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine

N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine (PubChem CID 79736426) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine
PubChem CID79736426
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine
SMILESCCNCCOCCc1ccc(F)c(C)c1
InChIInChI=1S/C13H20FNO/c1-3-15-7-9-16-8-6-12-4-5-13(14)11(2)10-12/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyZTCMHYHHWQHWFF-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.30
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

2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine
CID 65302851
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
CID 113319292
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 62120248
2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid
CID 79017010
2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine
CID 65303014
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
[2-(4-fluoro-3-methylphenyl)ethylamino]methanethiol
CID 115228200
N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine
CID 65303192
N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303024
N'-[2-(4-fluoro-3-methylphenyl)ethyl]butane-1,4-diamine
CID 115201373
N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 65304697

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine?
The IUPAC name of N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine (CID 79736426) is N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine is CCNCCOCCc1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine?
The InChIKey is ZTCMHYHHWQHWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-15-7-9-16-8-6-12-4-5-13(14)11(2)10-12/h4-5,10,15H,3,6-9H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine?
N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine has a molecular weight of 225.31 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine is sourced from PubChem (CID 79736426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).