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

C12H17FN2O — CID 103590173

IUPAC2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol
SMILESCc1cc(N(CCO)C2CC2)c(N)cc1F
InChIInChI=1S/C12H17FN2O/c1-8-6-12(11(14)7-10(8)13)15(4-5-16)9-2-3-9/h6-7,9,16H,2-5,14H2,1H3
InChIKeyAWOBGGQQOWGZKH-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.68
Rot. Bonds4

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

2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol (PubChem CID 103590173) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol
PubChem CID103590173
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol
SMILESCc1cc(N(CCO)C2CC2)c(N)cc1F
InChIInChI=1S/C12H17FN2O/c1-8-6-12(11(14)7-10(8)13)15(4-5-16)9-2-3-9/h6-7,9,16H,2-5,14H2,1H3
InChIKeyAWOBGGQQOWGZKH-UHFFFAOYSA-N
XLogP1.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.68
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-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol
CID 63593939
2-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863551
2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863487
2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
CID 102859536
2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol
CID 103590086
3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol
CID 102863419
2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
CID 102859499
ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995082
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 116735733
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 54995094
2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 54995402

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol?
The IUPAC name of 2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol (CID 103590173) is 2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol.
What is the SMILES notation for 2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol?
The canonical SMILES for 2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol is Cc1cc(N(CCO)C2CC2)c(N)cc1F.
What is the InChIKey of 2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol?
The InChIKey is AWOBGGQQOWGZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8-6-12(11(14)7-10(8)13)15(4-5-16)9-2-3-9/h6-7,9,16H,2-5,14H2,1H3.
What are the key properties of 2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol?
2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol has a molecular weight of 224.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol is sourced from PubChem (CID 103590173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).