2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline

C12H18F2N2O — CID 62533946

IUPAC2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline
SMILESCCN(CC)CCOc1c(N)ccc(F)c1F
InChIInChI=1S/C12H18F2N2O/c1-3-16(4-2)7-8-17-12-10(15)6-5-9(13)11(12)14/h5-6H,3-4,7-8,15H2,1-2H3
InChIKeyQKIGECLLTMKYJV-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.27
Rot. Bonds6

About 2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline

2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline (PubChem CID 62533946) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline
PubChem CID62533946
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline
SMILESCCN(CC)CCOc1c(N)ccc(F)c1F
InChIInChI=1S/C12H18F2N2O/c1-3-16(4-2)7-8-17-12-10(15)6-5-9(13)11(12)14/h5-6H,3-4,7-8,15H2,1-2H3
InChIKeyQKIGECLLTMKYJV-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
CID 10358364
2-ethoxy-3,4-difluoroaniline
CID 22118017
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
CID 102991239
2-N-[3-(diethylamino)propyl]-3,4-difluorobenzene-1,2-diamine
CID 62531613
3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline
CID 62533760
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
4-[2-(diethylamino)ethoxy]-5-fluoropyrimidin-2-amine
CID 80870510
3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 63933644
3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline
CID 117095722

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline (CID 62533946) is 2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline is CCN(CC)CCOc1c(N)ccc(F)c1F.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline?
The InChIKey is QKIGECLLTMKYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-3-16(4-2)7-8-17-12-10(15)6-5-9(13)11(12)14/h5-6H,3-4,7-8,15H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline?
2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline has a molecular weight of 244.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline is sourced from PubChem (CID 62533946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).