N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline

C14H23FN2O — CID 114065673

IUPACN-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
SMILESCCOCCN(CC)c1cccc(F)c1CNC
InChIInChI=1S/C14H23FN2O/c1-4-17(9-10-18-5-2)14-8-6-7-13(15)12(14)11-16-3/h6-8,16H,4-5,9-11H2,1-3H3
InChIKeyGTNBBBPGVCXAOS-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.41
Rot. Bonds8

About N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline

N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline (PubChem CID 114065673) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
PubChem CID114065673
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
SMILESCCOCCN(CC)c1cccc(F)c1CNC
InChIInChI=1S/C14H23FN2O/c1-4-17(9-10-18-5-2)14-8-6-7-13(15)12(14)11-16-3/h6-8,16H,4-5,9-11H2,1-3H3
InChIKeyGTNBBBPGVCXAOS-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.41
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

N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]aniline
CID 63697732
N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
CID 114065675
6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 80834417
[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
CID 114067502
1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol
CID 82939297
2-[bis(2-ethoxyethyl)amino]-6-fluorobenzenecarbothioamide
CID 82960777
1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 114058464
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377
N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63690496
2-(2-aminoethyl)-3-chloro-N,N-bis(2-ethoxyethyl)aniline
CID 82943922
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline (CID 114065673) is N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline is CCOCCN(CC)c1cccc(F)c1CNC.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline?
The InChIKey is GTNBBBPGVCXAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-17(9-10-18-5-2)14-8-6-7-13(15)12(14)11-16-3/h6-8,16H,4-5,9-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline?
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline has a molecular weight of 254.35 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline is sourced from PubChem (CID 114065673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).