[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol

C12H16FNO — CID 79478431

IUPAC[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccccc2F)CC1
InChIInChI=1S/C12H16FNO/c13-11-4-2-1-3-10(11)7-14-8-12(9-15)5-6-12/h1-4,14-15H,5-9H2
InChIKeyPPONMWLZCGKXSJ-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.69
Rot. Bonds5

About [1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol

[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 79478431) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID79478431
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccccc2F)CC1
InChIInChI=1S/C12H16FNO/c13-11-4-2-1-3-10(11)7-14-8-12(9-15)5-6-12/h1-4,14-15H,5-9H2
InChIKeyPPONMWLZCGKXSJ-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol (CID 79478431) is [1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2ccccc2F)CC1.
What is the InChIKey of [1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is PPONMWLZCGKXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-4-2-1-3-10(11)7-14-8-12(9-15)5-6-12/h1-4,14-15H,5-9H2.
What are the key properties of [1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 209.26 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 79478431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).