4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol

C14H19F2NO — CID 81394254

IUPAC4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
SMILESC[C@@H](NCc1cc(F)c(O)c(F)c1)C1CCCC1
InChIInChI=1S/C14H19F2NO/c1-9(11-4-2-3-5-11)17-8-10-6-12(15)14(18)13(16)7-10/h6-7,9,11,17-18H,2-5,8H2,1H3/t9-/m1/s1
InChIKeyAJKONBLTJGYFBB-SECBINFHSA-N
MW255.31 g/mol
LogP3.34
Rot. Bonds4

About 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol

4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol (PubChem CID 81394254) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
PubChem CID81394254
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
SMILESC[C@@H](NCc1cc(F)c(O)c(F)c1)C1CCCC1
InChIInChI=1S/C14H19F2NO/c1-9(11-4-2-3-5-11)17-8-10-6-12(15)14(18)13(16)7-10/h6-7,9,11,17-18H,2-5,8H2,1H3/t9-/m1/s1
InChIKeyAJKONBLTJGYFBB-SECBINFHSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-((Methylamino)methyl)phenol
CID 13104924
4-[(Cyclohexylamino)methyl]phenol
CID 407434
4-[(Cyclohexylamino)methyl]phenol;hydrochloride
CID 2939085
4-{[Cyclohexyl(methyl)amino]methyl}phenol
CID 783013
4-[(Octylamino)methyl]phenol
CID 78911393
4-[(Butylamino)methyl]phenol
CID 12285056
4-[(4,4-Diphenylbut-3-enylamino)methyl]-2,6-difluorophenol
CID 25149034
4-[[3-(Dimethylamino)propylamino]methyl]phenol
CID 28481859
4-Hydroxyethylamphetamine
CID 129646
2-Fluoro-4-(2-(methylamino)propyl)phenol
CID 101647
Phenol, 4-(((2-phenylethyl)amino)methyl)-, hydrochloride
CID 3042575
4-[2-[(Phenylmethyl)amino]propyl]phenol
CID 410204

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol?
The IUPAC name of 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol (CID 81394254) is 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol is C[C@@H](NCc1cc(F)c(O)c(F)c1)C1CCCC1.
What is the InChIKey of 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol?
The InChIKey is AJKONBLTJGYFBB-SECBINFHSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(11-4-2-3-5-11)17-8-10-6-12(15)14(18)13(16)7-10/h6-7,9,11,17-18H,2-5,8H2,1H3/t9-/m1/s1.
What are the key properties of 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol?
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol has a molecular weight of 255.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol is sourced from PubChem (CID 81394254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).