4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol

C17H18FNO2 — CID 104944215

IUPAC4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
SMILESCc1cc(C2C[C@H](N)c3cc(F)ccc3O2)cc(C)c1O
InChIInChI=1S/C17H18FNO2/c1-9-5-11(6-10(2)17(9)20)16-8-14(19)13-7-12(18)3-4-15(13)21-16/h3-7,14,16,20H,8,19H2,1-2H3/t14-,16?/m0/s1
InChIKeyDDWMUUHMCOFCOG-LBAUFKAWSA-N
MW287.33 g/mol
LogP3.67
Rot. Bonds1

About 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol

4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol (PubChem CID 104944215) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
PubChem CID104944215
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
SMILESCc1cc(C2C[C@H](N)c3cc(F)ccc3O2)cc(C)c1O
InChIInChI=1S/C17H18FNO2/c1-9-5-11(6-10(2)17(9)20)16-8-14(19)13-7-12(18)3-4-15(13)21-16/h3-7,14,16,20H,8,19H2,1-2H3/t14-,16?/m0/s1
InChIKeyDDWMUUHMCOFCOG-LBAUFKAWSA-N
XLogP3.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol 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

4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944427
6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708524
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405
2-(4-fluoro-2-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709770
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
6-chloro-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709097
(4R)-2-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944502
3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104947542
2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709766

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol (CID 104944215) is 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol is Cc1cc(C2C[C@H](N)c3cc(F)ccc3O2)cc(C)c1O.
What is the InChIKey of 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol?
The InChIKey is DDWMUUHMCOFCOG-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-9-5-11(6-10(2)17(9)20)16-8-14(19)13-7-12(18)3-4-15(13)21-16/h3-7,14,16,20H,8,19H2,1-2H3/t14-,16?/m0/s1.
What are the key properties of 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol?
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol has a molecular weight of 287.33 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol is sourced from PubChem (CID 104944215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).