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

C13H19FN2O — CID 102859346

IUPAC3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
SMILESNc1c(F)cccc1N(CCCO)C1CCC1
InChIInChI=1S/C13H19FN2O/c14-11-6-2-7-12(13(11)15)16(8-3-9-17)10-4-1-5-10/h2,6-7,10,17H,1,3-5,8-9,15H2
InChIKeyWPIRLRKPNHQSGD-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.15
Rot. Bonds5

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

3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol (PubChem CID 102859346) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol.

Molecular Properties

Compound Name3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
PubChem CID102859346
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
SMILESNc1c(F)cccc1N(CCCO)C1CCC1
InChIInChI=1S/C13H19FN2O/c14-11-6-2-7-12(13(11)15)16(8-3-9-17)10-4-1-5-10/h2,6-7,10,17H,1,3-5,8-9,15H2
InChIKeyWPIRLRKPNHQSGD-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-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
CID 102859257
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
CID 102868412
2-amino-N-cyclopentyl-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 62662448
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 104716539
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
CID 115545500
2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
CID 102859499
3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
CID 102859372
2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79517334
4-[cyclobutyl(3-hydroxypropyl)amino]-3-fluorobenzonitrile
CID 102846700
1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
CID 102864135

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol?
The IUPAC name of 3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol (CID 102859346) is 3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol.
What is the SMILES notation for 3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol?
The canonical SMILES for 3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol is Nc1c(F)cccc1N(CCCO)C1CCC1.
What is the InChIKey of 3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol?
The InChIKey is WPIRLRKPNHQSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-11-6-2-7-12(13(11)15)16(8-3-9-17)10-4-1-5-10/h2,6-7,10,17H,1,3-5,8-9,15H2.
What are the key properties of 3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol?
3-(2-amino-N-cyclobutyl-3-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-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol is sourced from PubChem (CID 102859346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).