2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol

C13H21FN2O — CID 103590086

IUPAC2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol
SMILESCCCCN(CCO)c1cc(C)c(F)cc1N
InChIInChI=1S/C13H21FN2O/c1-3-4-5-16(6-7-17)13-8-10(2)11(14)9-12(13)15/h8-9,17H,3-7,15H2,1-2H3
InChIKeyHUBNNUSXOSTTHO-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.32
Rot. Bonds6

About 2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol

2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol (PubChem CID 103590086) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol
PubChem CID103590086
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol
SMILESCCCCN(CCO)c1cc(C)c(F)cc1N
InChIInChI=1S/C13H21FN2O/c1-3-4-5-16(6-7-17)13-8-10(2)11(14)9-12(13)15/h8-9,17H,3-7,15H2,1-2H3
InChIKeyHUBNNUSXOSTTHO-UHFFFAOYSA-N
XLogP2.32
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.32
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-propoxyanilino)ethanol
CID 63592250
2-(2-amino-N-butyl-5-fluoroanilino)ethanol
CID 62377304
2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 63593222
2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol
CID 103590173
2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 66079554
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 61445859
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanone
CID 61446469
2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide
CID 55216070
1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592910
2-[2-[(1S)-1-aminoethyl]-N-butyl-3-fluoroanilino]ethanol
CID 78934634
5-N,5-N-dibutyl-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450495

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol?
The IUPAC name of 2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol (CID 103590086) is 2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol.
What is the SMILES notation for 2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol?
The canonical SMILES for 2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol is CCCCN(CCO)c1cc(C)c(F)cc1N.
What is the InChIKey of 2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol?
The InChIKey is HUBNNUSXOSTTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-4-5-16(6-7-17)13-8-10(2)11(14)9-12(13)15/h8-9,17H,3-7,15H2,1-2H3.
What are the key properties of 2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol?
2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol has a molecular weight of 240.32 g/mol, XLogP of 2.32, 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-4-fluoro-5-methylanilino)ethanol is sourced from PubChem (CID 103590086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).