2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine

C13H20FNO2 — CID 64854417

IUPAC2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
SMILESCCOC(CN)CCOc1cc(C)ccc1F
InChIInChI=1S/C13H20FNO2/c1-3-16-11(9-15)6-7-17-13-8-10(2)4-5-12(13)14/h4-5,8,11H,3,6-7,9,15H2,1-2H3
InChIKeyUTQZRCBVQJJBSC-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.27
Rot. Bonds7

About 2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine

2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine (PubChem CID 64854417) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
PubChem CID64854417
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
SMILESCCOC(CN)CCOc1cc(C)ccc1F
InChIInChI=1S/C13H20FNO2/c1-3-16-11(9-15)6-7-17-13-8-10(2)4-5-12(13)14/h4-5,8,11H,3,6-7,9,15H2,1-2H3
InChIKeyUTQZRCBVQJJBSC-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046
4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine
CID 55146669
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
4-(4-bromo-3-fluorophenoxy)-2-ethoxybutan-1-amine
CID 65203796
2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 55145902
4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64856313
2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene
CID 11779994
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine (CID 64854417) is 2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine is CCOC(CN)CCOc1cc(C)ccc1F.
What is the InChIKey of 2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine?
The InChIKey is UTQZRCBVQJJBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-16-11(9-15)6-7-17-13-8-10(2)4-5-12(13)14/h4-5,8,11H,3,6-7,9,15H2,1-2H3.
What are the key properties of 2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine?
2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine has a molecular weight of 241.31 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine is sourced from PubChem (CID 64854417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).