[3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol

C14H21FN2O — CID 114067493

IUPAC[3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
SMILESCN1CCC(CN(C)c2c(F)cccc2CO)C1
InChIInChI=1S/C14H21FN2O/c1-16-7-6-11(8-16)9-17(2)14-12(10-18)4-3-5-13(14)15/h3-5,11,18H,6-10H2,1-2H3
InChIKeyFLVIMYRPIROCPD-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.71
Rot. Bonds4

About [3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol

[3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol (PubChem CID 114067493) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
PubChem CID114067493
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
SMILESCN1CCC(CN(C)c2c(F)cccc2CO)C1
InChIInChI=1S/C14H21FN2O/c1-16-7-6-11(8-16)9-17(2)14-12(10-18)4-3-5-13(14)15/h3-5,11,18H,6-10H2,1-2H3
InChIKeyFLVIMYRPIROCPD-UHFFFAOYSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
The IUPAC name of [3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol (CID 114067493) is [3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
The canonical SMILES for [3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol is CN1CCC(CN(C)c2c(F)cccc2CO)C1.
What is the InChIKey of [3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
The InChIKey is FLVIMYRPIROCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-7-6-11(8-16)9-17(2)14-12(10-18)4-3-5-13(14)15/h3-5,11,18H,6-10H2,1-2H3.
What are the key properties of [3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol?
[3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol has a molecular weight of 252.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 114067493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).