3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline

C13H21FN2O — CID 102814011

IUPAC3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
SMILESCCOCCN(CC)c1cc(F)cc(CN)c1
InChIInChI=1S/C13H21FN2O/c1-3-16(5-6-17-4-2)13-8-11(10-15)7-12(14)9-13/h7-9H,3-6,10,15H2,1-2H3
InChIKeyMFXYWZRQPQIXHE-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.15
Rot. Bonds7

About 3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline

3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline (PubChem CID 102814011) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
PubChem CID102814011
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
SMILESCCOCCN(CC)c1cc(F)cc(CN)c1
InChIInChI=1S/C13H21FN2O/c1-3-16(5-6-17-4-2)13-8-11(10-15)7-12(14)9-13/h7-9H,3-6,10,15H2,1-2H3
InChIKeyMFXYWZRQPQIXHE-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63691026
3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline
CID 106532625
3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
CID 102813533
2-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63697340
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 102813670
3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline
CID 102813839
4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline
CID 43457117
2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide
CID 102813911
2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63691033
[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 55226530
4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63698104

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline?
The IUPAC name of 3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline (CID 102814011) is 3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline.
What is the SMILES notation for 3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline?
The canonical SMILES for 3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline is CCOCCN(CC)c1cc(F)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline?
The InChIKey is MFXYWZRQPQIXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-16(5-6-17-4-2)13-8-11(10-15)7-12(14)9-13/h7-9H,3-6,10,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline?
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline has a molecular weight of 240.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline is sourced from PubChem (CID 102814011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).