4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine

C13H20FNO — CID 107130391

IUPAC4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
SMILESCCOCCCC(N)c1ccc(C)c(F)c1
InChIInChI=1S/C13H20FNO/c1-3-16-8-4-5-13(15)11-7-6-10(2)12(14)9-11/h6-7,9,13H,3-5,8,15H2,1-2H3
InChIKeyXTDUVOHAEJSGCM-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.95
Rot. Bonds6

About 4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine

4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine (PubChem CID 107130391) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
PubChem CID107130391
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
SMILESCCOCCCC(N)c1ccc(C)c(F)c1
InChIInChI=1S/C13H20FNO/c1-3-16-8-4-5-13(15)11-7-6-10(2)12(14)9-11/h6-7,9,13H,3-5,8,15H2,1-2H3
InChIKeyXTDUVOHAEJSGCM-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.95
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

1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002277
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924
ethyl 3-amino-3-(3-fluoro-4-methylphenyl)propanoate
CID 63644834
4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
CID 105095438
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
1-(3-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 104804543
2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
CID 79568215
2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107128759
3-ethoxy-1-(4-methylphenyl)propan-1-amine
CID 115601658
(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
CID 171192177

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine?
The IUPAC name of 4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine (CID 107130391) is 4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine?
The canonical SMILES for 4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine is CCOCCCC(N)c1ccc(C)c(F)c1.
What is the InChIKey of 4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine?
The InChIKey is XTDUVOHAEJSGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-16-8-4-5-13(15)11-7-6-10(2)12(14)9-11/h6-7,9,13H,3-5,8,15H2,1-2H3.
What are the key properties of 4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine?
4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine is sourced from PubChem (CID 107130391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).