5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol

C20H24FNO3 — CID 51497042

IUPAC5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc1O
InChIInChI=1S/C20H24FNO3/c1-24-20-9-6-16(11-19(20)23)13-22(14-18-3-2-10-25-18)12-15-4-7-17(21)8-5-15/h4-9,11,18,23H,2-3,10,12-14H2,1H3/t18-/m0/s1
InChIKeyDPPBGYIFDFNOIS-SFHVURJKSA-N
MW345.41 g/mol
LogP3.72
Rot. Bonds7

About 5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol

5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol (PubChem CID 51497042) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol
PubChem CID51497042
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc1O
InChIInChI=1S/C20H24FNO3/c1-24-20-9-6-16(11-19(20)23)13-22(14-18-3-2-10-25-18)12-15-4-7-17(21)8-5-15/h4-9,11,18,23H,2-3,10,12-14H2,1H3/t18-/m0/s1
InChIKeyDPPBGYIFDFNOIS-SFHVURJKSA-N
XLogP3.72
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol 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

5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43818526
2-methoxy-5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818704
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 43818512
N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962825
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 43818433
4-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-2,6-dimethoxyphenol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171672110
2-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol
CID 46984901
N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 43818563
2-methoxy-5-[[[(2R)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)amino]methyl]benzoic acid
CID 99946914
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433743
N-[(2,5-difluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 43818450
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol (CID 51497042) is 5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol is COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc1O.
What is the InChIKey of 5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol?
The InChIKey is DPPBGYIFDFNOIS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-24-20-9-6-16(11-19(20)23)13-22(14-18-3-2-10-25-18)12-15-4-7-17(21)8-5-15/h4-9,11,18,23H,2-3,10,12-14H2,1H3/t18-/m0/s1.
What are the key properties of 5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol?
5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol has a molecular weight of 345.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 51497042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).