4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine

C14H22FNO — CID 105142408

IUPAC4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine
SMILESCCOCCCC(NC)c1cc(F)ccc1C
InChIInChI=1S/C14H22FNO/c1-4-17-9-5-6-14(16-3)13-10-12(15)8-7-11(13)2/h7-8,10,14,16H,4-6,9H2,1-3H3
InChIKeyDIXFBSVTCOXMCW-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.21
Rot. Bonds7

About 4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine

4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine (PubChem CID 105142408) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine
PubChem CID105142408
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine
SMILESCCOCCCC(NC)c1cc(F)ccc1C
InChIInChI=1S/C14H22FNO/c1-4-17-9-5-6-14(16-3)13-10-12(15)8-7-11(13)2/h7-8,10,14,16H,4-6,9H2,1-3H3
InChIKeyDIXFBSVTCOXMCW-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 105176513
4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine
CID 105142729
5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 115516592
5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
CID 105188238
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
CID 105174760
3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 63416460
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63416549
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
CID 63416508
1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 81279034
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine (CID 105142408) is 4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine is CCOCCCC(NC)c1cc(F)ccc1C.
What is the InChIKey of 4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine?
The InChIKey is DIXFBSVTCOXMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-17-9-5-6-14(16-3)13-10-12(15)8-7-11(13)2/h7-8,10,14,16H,4-6,9H2,1-3H3.
What are the key properties of 4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine?
4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 105142408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).