2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol

C13H19FN2O — CID 102859732

IUPAC2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol
SMILESNCc1cc(F)cc(N(CCO)C2CCC2)c1
InChIInChI=1S/C13H19FN2O/c14-11-6-10(9-15)7-13(8-11)16(4-5-17)12-2-1-3-12/h6-8,12,17H,1-5,9,15H2
InChIKeyQJFJRVOXINXCMG-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.64
Rot. Bonds5

About 2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol

2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol (PubChem CID 102859732) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol.

Molecular Properties

Compound Name2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol
PubChem CID102859732
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol
SMILESNCc1cc(F)cc(N(CCO)C2CCC2)c1
InChIInChI=1S/C13H19FN2O/c14-11-6-10(9-15)7-13(8-11)16(4-5-17)12-2-1-3-12/h6-8,12,17H,1-5,9,15H2
InChIKeyQJFJRVOXINXCMG-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)-5-bromo-N-cyclobutylanilino]propan-1-ol
CID 102859668
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CID 113295415
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
CID 102813731
2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
CID 102859499
4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402832
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol
CID 62945689
2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
CID 102859536
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
2-[[4-(aminomethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 54994992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol?
The IUPAC name of 2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol (CID 102859732) is 2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol.
What is the SMILES notation for 2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol?
The canonical SMILES for 2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol is NCc1cc(F)cc(N(CCO)C2CCC2)c1.
What is the InChIKey of 2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol?
The InChIKey is QJFJRVOXINXCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-11-6-10(9-15)7-13(8-11)16(4-5-17)12-2-1-3-12/h6-8,12,17H,1-5,9,15H2.
What are the key properties of 2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol?
2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol has a molecular weight of 238.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol is sourced from PubChem (CID 102859732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).