3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline

C13H21FN2O — CID 106532625

IUPAC3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline
SMILESCCN(CCOC)c1cc(F)cc(CCN)c1
InChIInChI=1S/C13H21FN2O/c1-3-16(6-7-17-2)13-9-11(4-5-15)8-12(14)10-13/h8-10H,3-7,15H2,1-2H3
InChIKeyOIIHWTPIKFAPIL-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.80
Rot. Bonds7

About 3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline

3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline (PubChem CID 106532625) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline
PubChem CID106532625
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline
SMILESCCN(CCOC)c1cc(F)cc(CCN)c1
InChIInChI=1S/C13H21FN2O/c1-3-16(6-7-17-2)13-9-11(4-5-15)8-12(14)10-13/h8-10H,3-7,15H2,1-2H3
InChIKeyOIIHWTPIKFAPIL-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
CID 102814011
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 102813670
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532663
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 106532176
4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline
CID 107081493
3-(2-aminoethyl)-N,N-diethylaniline
CID 82402430
2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411599
N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline
CID 106532649
3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
CID 102813533
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
5-ethoxy-3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 80728549

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline (CID 106532625) is 3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline is CCN(CCOC)c1cc(F)cc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline?
The InChIKey is OIIHWTPIKFAPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-16(6-7-17-2)13-9-11(4-5-15)8-12(14)10-13/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline?
3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline has a molecular weight of 240.32 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 106532625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).