3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol

C13H19FN2O — CID 102859257

IUPAC3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
SMILESNc1ccc(N(CCCO)C2CCC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c14-12-9-10(15)5-6-13(12)16(7-2-8-17)11-3-1-4-11/h5-6,9,11,17H,1-4,7-8,15H2
InChIKeyMYRMRUDWCVJOSG-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.15
Rot. Bonds5

About 3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol

3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol (PubChem CID 102859257) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
PubChem CID102859257
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
SMILESNc1ccc(N(CCCO)C2CCC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c14-12-9-10(15)5-6-13(12)16(7-2-8-17)11-3-1-4-11/h5-6,9,11,17H,1-4,7-8,15H2
InChIKeyMYRMRUDWCVJOSG-UHFFFAOYSA-N
XLogP2.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.15
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

3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
CID 102859372
4-[cyclobutyl(3-hydroxypropyl)amino]-3-fluorobenzonitrile
CID 102846700
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
3-(N-cyclobutyl-2-fluoro-4-nitroanilino)propan-1-ol
CID 102846778
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol
CID 102859641
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
CID 66095606
1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 55011299
4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
CID 54994433
(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940583
3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol
CID 102863419

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol?
The IUPAC name of 3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol (CID 102859257) is 3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol.
What is the SMILES notation for 3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol?
The canonical SMILES for 3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol is Nc1ccc(N(CCCO)C2CCC2)c(F)c1.
What is the InChIKey of 3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol?
The InChIKey is MYRMRUDWCVJOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-12-9-10(15)5-6-13(12)16(7-2-8-17)11-3-1-4-11/h5-6,9,11,17H,1-4,7-8,15H2.
What are the key properties of 3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol?
3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol is sourced from PubChem (CID 102859257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).