2-(2-amino-N-butyl-5-fluoroanilino)ethanol

C12H19FN2O — CID 62377304

IUPAC2-(2-amino-N-butyl-5-fluoroanilino)ethanol
SMILESCCCCN(CCO)c1cc(F)ccc1N
InChIInChI=1S/C12H19FN2O/c1-2-3-6-15(7-8-16)12-9-10(13)4-5-11(12)14/h4-5,9,16H,2-3,6-8,14H2,1H3
InChIKeyNNIFDJKBSXCJRW-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.01
Rot. Bonds6

About 2-(2-amino-N-butyl-5-fluoroanilino)ethanol

2-(2-amino-N-butyl-5-fluoroanilino)ethanol (PubChem CID 62377304) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-(2-amino-N-butyl-5-fluoroanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-N-butyl-5-fluoroanilino)ethanol
PubChem CID62377304
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-(2-amino-N-butyl-5-fluoroanilino)ethanol
SMILESCCCCN(CCO)c1cc(F)ccc1N
InChIInChI=1S/C12H19FN2O/c1-2-3-6-15(7-8-16)12-9-10(13)4-5-11(12)14/h4-5,9,16H,2-3,6-8,14H2,1H3
InChIKeyNNIFDJKBSXCJRW-UHFFFAOYSA-N
XLogP2.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol
CID 103590086
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine
CID 62378190
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
2-[N-butyl-2-(ethylaminomethyl)-4-fluoroanilino]ethanol
CID 61447090
2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
CID 102991223
2-(2-amino-N-butyl-4-fluoro-5-propoxyanilino)ethanol
CID 63592250
2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline
CID 28983277
2-(2-amino-N-ethyl-5-methylanilino)ethanol
CID 57376084
methyl 4-amino-3-(dibutylamino)benzoate
CID 82785041
2-N-butyl-4-chloro-2-N-ethylbenzene-1,2-diamine
CID 115468453
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 61445859
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanone
CID 61446469

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-butyl-5-fluoroanilino)ethanol?
The IUPAC name of 2-(2-amino-N-butyl-5-fluoroanilino)ethanol (CID 62377304) is 2-(2-amino-N-butyl-5-fluoroanilino)ethanol.
What is the SMILES notation for 2-(2-amino-N-butyl-5-fluoroanilino)ethanol?
The canonical SMILES for 2-(2-amino-N-butyl-5-fluoroanilino)ethanol is CCCCN(CCO)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-N-butyl-5-fluoroanilino)ethanol?
The InChIKey is NNIFDJKBSXCJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-2-3-6-15(7-8-16)12-9-10(13)4-5-11(12)14/h4-5,9,16H,2-3,6-8,14H2,1H3.
What are the key properties of 2-(2-amino-N-butyl-5-fluoroanilino)ethanol?
2-(2-amino-N-butyl-5-fluoroanilino)ethanol has a molecular weight of 226.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-butyl-5-fluoroanilino)ethanol is sourced from PubChem (CID 62377304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).