4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine

C12H17F2NO2 — CID 63071046

IUPAC4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCOc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2/c1-2-16-10(8-15)5-6-17-12-4-3-9(13)7-11(12)14/h3-4,7,10H,2,5-6,8,15H2,1H3
InChIKeyCXSBVNFFWDILQU-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.10
Rot. Bonds7

About 4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine

4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine (PubChem CID 63071046) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
PubChem CID63071046
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCOc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2/c1-2-16-10(8-15)5-6-17-12-4-3-9(13)7-11(12)14/h3-4,7,10H,2,5-6,8,15H2,1H3
InChIKeyCXSBVNFFWDILQU-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
CID 64854417
4-(4-bromo-3-fluorophenoxy)-2-ethoxybutan-1-amine
CID 65203796
2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 55145902
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
CID 89282398
CID 89282398
4-(3-bromo-5-fluorophenoxy)-2-ethoxybutan-1-amine
CID 81332335
2-ethoxy-4-(4-ethylphenoxy)butan-1-amine
CID 63072009
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine
CID 63071626
4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
CID 64804927
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethoxybutan-1-amine
CID 102714329

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine?
The IUPAC name of 4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine (CID 63071046) is 4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine?
The canonical SMILES for 4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine is CCOC(CN)CCOc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine?
The InChIKey is CXSBVNFFWDILQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-2-16-10(8-15)5-6-17-12-4-3-9(13)7-11(12)14/h3-4,7,10H,2,5-6,8,15H2,1H3.
What are the key properties of 4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine?
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine has a molecular weight of 245.27 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine is sourced from PubChem (CID 63071046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).