4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol

C15H22FNO2 — CID 56720245

IUPAC4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol
SMILESCN(Cc1cc(F)ccc1O)CC1(CO)CCCC1
InChIInChI=1S/C15H22FNO2/c1-17(10-15(11-18)6-2-3-7-15)9-12-8-13(16)4-5-14(12)19/h4-5,8,18-19H,2-3,6-7,9-11H2,1H3
InChIKeyAMAHPQWIXFBKMD-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.52
Rot. Bonds5

About 4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol

4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol (PubChem CID 56720245) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol
PubChem CID56720245
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol
SMILESCN(Cc1cc(F)ccc1O)CC1(CO)CCCC1
InChIInChI=1S/C15H22FNO2/c1-17(10-15(11-18)6-2-3-7-15)9-12-8-13(16)4-5-14(12)19/h4-5,8,18-19H,2-3,6-7,9-11H2,1H3
InChIKeyAMAHPQWIXFBKMD-UHFFFAOYSA-N
XLogP2.52
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62265112
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115245867
[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol
CID 55055377
4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
CID 103947518
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243516
2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-fluorophenol
CID 107701908
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-5-fluorobenzoic acid
CID 105418433
2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol
CID 103949020
[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
CID 62272788
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267
4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 91760239

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol (CID 56720245) is 4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol is CN(Cc1cc(F)ccc1O)CC1(CO)CCCC1.
What is the InChIKey of 4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol?
The InChIKey is AMAHPQWIXFBKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-17(10-15(11-18)6-2-3-7-15)9-12-8-13(16)4-5-14(12)19/h4-5,8,18-19H,2-3,6-7,9-11H2,1H3.
What are the key properties of 4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol?
4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol has a molecular weight of 267.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol is sourced from PubChem (CID 56720245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).