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

C14H22FNO — CID 114347916

IUPAC3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
SMILESCCOC(C)C(Cc1ccc(F)cc1C)NC
InChIInChI=1S/C14H22FNO/c1-5-17-11(3)14(16-4)9-12-6-7-13(15)8-10(12)2/h6-8,11,14,16H,5,9H2,1-4H3
InChIKeyYJRYRQTYNYGTDO-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.69
Rot. Bonds6

About 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine

3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine (PubChem CID 114347916) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
PubChem CID114347916
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
SMILESCCOC(C)C(Cc1ccc(F)cc1C)NC
InChIInChI=1S/C14H22FNO/c1-5-17-11(3)14(16-4)9-12-6-7-13(15)8-10(12)2/h6-8,11,14,16H,5,9H2,1-4H3
InChIKeyYJRYRQTYNYGTDO-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 105373925
1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine
CID 105050915
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114348126
3-ethoxy-1-(3-fluorophenyl)-N-methylbutan-2-amine
CID 64532588
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 64533184
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
CID 105188238
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051215
1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol
CID 105131331
3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
CID 64539860

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine?
The IUPAC name of 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine (CID 114347916) is 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine is CCOC(C)C(Cc1ccc(F)cc1C)NC.
What is the InChIKey of 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine?
The InChIKey is YJRYRQTYNYGTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-17-11(3)14(16-4)9-12-6-7-13(15)8-10(12)2/h6-8,11,14,16H,5,9H2,1-4H3.
What are the key properties of 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine?
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 114347916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).