2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol

C13H18FNO — CID 102676667

IUPAC2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccc(F)cc1)C1CCC1
InChIInChI=1S/C13H18FNO/c14-12-6-4-11(5-7-12)10-15(8-9-16)13-2-1-3-13/h4-7,13,16H,1-3,8-10H2
InChIKeyAORHQAPMZWWLHX-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.17
Rot. Bonds5

About 2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol

2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol (PubChem CID 102676667) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
PubChem CID102676667
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccc(F)cc1)C1CCC1
InChIInChI=1S/C13H18FNO/c14-12-6-4-11(5-7-12)10-15(8-9-16)13-2-1-3-13/h4-7,13,16H,1-3,8-10H2
InChIKeyAORHQAPMZWWLHX-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol
CID 65478154
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
2-[cyclobutyl-[(4-nitrophenyl)methyl]amino]ethanol
CID 102676847
4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 54995340
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol (CID 102676667) is 2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol is OCCN(Cc1ccc(F)cc1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol?
The InChIKey is AORHQAPMZWWLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-12-6-4-11(5-7-12)10-15(8-9-16)13-2-1-3-13/h4-7,13,16H,1-3,8-10H2.
What are the key properties of 2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol?
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 102676667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).