2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol

C16H18FNO — CID 103940654

IUPAC2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol
SMILESCc1cccc(CN[C@H](C)c2cccc(F)c2)c1O
InChIInChI=1S/C16H18FNO/c1-11-5-3-7-14(16(11)19)10-18-12(2)13-6-4-8-15(17)9-13/h3-9,12,18-19H,10H2,1-2H3/t12-/m1/s1
InChIKeyFQWWOEPGNUUQSW-GFCCVEGCSA-N
MW259.32 g/mol
LogP3.69
Rot. Bonds4

About 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol

2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol (PubChem CID 103940654) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol
PubChem CID103940654
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol
SMILESCc1cccc(CN[C@H](C)c2cccc(F)c2)c1O
InChIInChI=1S/C16H18FNO/c1-11-5-3-7-14(16(11)19)10-18-12(2)13-6-4-8-15(17)9-13/h3-9,12,18-19H,10H2,1-2H3/t12-/m1/s1
InChIKeyFQWWOEPGNUUQSW-GFCCVEGCSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol 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

(1S)-N-[(2,3-dimethylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365032
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 107730910
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 115904447
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,3-diol
CID 43205914
2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 112553988
2-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]-6-methylphenol
CID 115904662
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559
2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258765
2-[[1-(3-fluorophenyl)ethylamino]methyl]-5-methoxyphenol
CID 61262310
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
4-fluoro-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 107694502

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol?
The IUPAC name of 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol (CID 103940654) is 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol is Cc1cccc(CN[C@H](C)c2cccc(F)c2)c1O.
What is the InChIKey of 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol?
The InChIKey is FQWWOEPGNUUQSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-5-3-7-14(16(11)19)10-18-12(2)13-6-4-8-15(17)9-13/h3-9,12,18-19H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol?
2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol has a molecular weight of 259.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol is sourced from PubChem (CID 103940654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).