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

C14H22FNO — CID 116716584

IUPAC2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine
SMILESCCOC(CC)C(NC)c1ccc(F)cc1C
InChIInChI=1S/C14H22FNO/c1-5-13(17-6-2)14(16-4)12-8-7-11(15)9-10(12)3/h7-9,13-14,16H,5-6H2,1-4H3
InChIKeyWMVASWLLPQBAHC-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.21
Rot. Bonds6

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

2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine (PubChem CID 116716584) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine
PubChem CID116716584
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine
SMILESCCOC(CC)C(NC)c1ccc(F)cc1C
InChIInChI=1S/C14H22FNO/c1-5-13(17-6-2)14(16-4)12-8-7-11(15)9-10(12)3/h7-9,13-14,16H,5-6H2,1-4H3
InChIKeyWMVASWLLPQBAHC-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 116717728
2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 116718011
1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717237
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277
2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116716585
N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 82923467
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 114347916
3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
CID 105374355
1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62790676

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine (CID 116716584) is 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine is CCOC(CC)C(NC)c1ccc(F)cc1C.
What is the InChIKey of 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine?
The InChIKey is WMVASWLLPQBAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-13(17-6-2)14(16-4)12-8-7-11(15)9-10(12)3/h7-9,13-14,16H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine?
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 116716584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).