2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline

C11H17FN2O — CID 95441473

IUPAC2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(F)cc1CCN
InChIInChI=1S/C11H17FN2O/c1-15-7-6-14-11-3-2-10(12)8-9(11)4-5-13/h2-3,8,14H,4-7,13H2,1H3
InChIKeyKWSGBFGYWVBFSD-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.39
Rot. Bonds6

About 2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline

2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline (PubChem CID 95441473) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
PubChem CID95441473
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(F)cc1CCN
InChIInChI=1S/C11H17FN2O/c1-15-7-6-14-11-3-2-10(12)8-9(11)4-5-13/h2-3,8,14H,4-7,13H2,1H3
InChIKeyKWSGBFGYWVBFSD-UHFFFAOYSA-N
XLogP1.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-N-butyl-4-fluoroaniline
CID 95441121
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
CID 79769085
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline
CID 82300622
2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline
CID 114889645
5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide
CID 63669341
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline
CID 153334759
2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline
CID 82296258
2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline
CID 82294339

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline (CID 95441473) is 2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline is COCCNc1ccc(F)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
The InChIKey is KWSGBFGYWVBFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-15-7-6-14-11-3-2-10(12)8-9(11)4-5-13/h2-3,8,14H,4-7,13H2,1H3.
What are the key properties of 2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline has a molecular weight of 212.27 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 95441473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).