2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol

C16H22FNO — CID 114750516

IUPAC2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CC(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C16H22FNO/c17-14-3-1-2-12(8-14)13-9-15(10-13)18-11-16(4-5-16)6-7-19/h1-3,8,13,15,18-19H,4-7,9-11H2
InChIKeyZNHPBMBOLNIWTA-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.82
Rot. Bonds6

About 2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol

2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol (PubChem CID 114750516) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
PubChem CID114750516
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CC(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C16H22FNO/c17-14-3-1-2-12(8-14)13-9-15(10-13)18-11-16(4-5-16)6-7-19/h1-3,8,13,15,18-19H,4-7,9-11H2
InChIKeyZNHPBMBOLNIWTA-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol (CID 114750516) is 2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol is OCCC1(CNC2CC(c3cccc(F)c3)C2)CC1.
What is the InChIKey of 2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
The InChIKey is ZNHPBMBOLNIWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-14-3-1-2-12(8-14)13-9-15(10-13)18-11-16(4-5-16)6-7-19/h1-3,8,13,15,18-19H,4-7,9-11H2.
What are the key properties of 2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol has a molecular weight of 263.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).