(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine

C17H18FNO — CID 104944378

IUPAC(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2C[C@@H](N)c3cc(F)ccc3O2)cc1C
InChIInChI=1S/C17H18FNO/c1-10-3-4-12(7-11(10)2)17-9-15(19)14-8-13(18)5-6-16(14)20-17/h3-8,15,17H,9,19H2,1-2H3/t15-,17?/m1/s1
InChIKeyRGSYWYMRASUDFX-LDCVWXEPSA-N
MW271.33 g/mol
LogP3.97
Rot. Bonds1

About (4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944378) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is (4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944378
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2C[C@@H](N)c3cc(F)ccc3O2)cc1C
InChIInChI=1S/C17H18FNO/c1-10-3-4-12(7-11(10)2)17-9-15(19)14-8-13(18)5-6-16(14)20-17/h3-8,15,17H,9,19H2,1-2H3/t15-,17?/m1/s1
InChIKeyRGSYWYMRASUDFX-LDCVWXEPSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104944215
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843
(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944427
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708524
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947352
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
(4R)-2-(4-fluoro-3-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946999
2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709722
2-(4-fluoro-2-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709770
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 104944378) is (4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(C2C[C@@H](N)c3cc(F)ccc3O2)cc1C.
What is the InChIKey of (4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RGSYWYMRASUDFX-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H18FNO/c1-10-3-4-12(7-11(10)2)17-9-15(19)14-8-13(18)5-6-16(14)20-17/h3-8,15,17H,9,19H2,1-2H3/t15-,17?/m1/s1.
What are the key properties of (4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 271.33 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).