2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol

C15H23FN2O — CID 112606832

IUPAC2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol
SMILESCC(CNCc1cccc(F)c1O)CN1CCCC1
InChIInChI=1S/C15H23FN2O/c1-12(11-18-7-2-3-8-18)9-17-10-13-5-4-6-14(16)15(13)19/h4-6,12,17,19H,2-3,7-11H2,1H3
InChIKeyZFGVWZMVRDTINE-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.35
Rot. Bonds6

About 2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol

2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol (PubChem CID 112606832) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol
PubChem CID112606832
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol
SMILESCC(CNCc1cccc(F)c1O)CN1CCCC1
InChIInChI=1S/C15H23FN2O/c1-12(11-18-7-2-3-8-18)9-17-10-13-5-4-6-14(16)15(13)19/h4-6,12,17,19H,2-3,7-11H2,1H3
InChIKeyZFGVWZMVRDTINE-UHFFFAOYSA-N
XLogP2.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 114842325
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
2-fluoro-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 112606300
N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957592
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
2-fluoro-4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzoic acid
CID 106700025
1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111265892
N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938186
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzene-1,2-diol
CID 60957707
N-[[3-(difluoromethyl)phenyl]methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 115526373
2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol
CID 103948931
2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
CID 115972498

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol (CID 112606832) is 2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol is CC(CNCc1cccc(F)c1O)CN1CCCC1.
What is the InChIKey of 2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol?
The InChIKey is ZFGVWZMVRDTINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12(11-18-7-2-3-8-18)9-17-10-13-5-4-6-14(16)15(13)19/h4-6,12,17,19H,2-3,7-11H2,1H3.
What are the key properties of 2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol?
2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol has a molecular weight of 266.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol is sourced from PubChem (CID 112606832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).