2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

C17H18FNO — CID 114710248

IUPAC2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C)c(C2CC(N)c3ccc(F)cc3O2)c1
InChIInChI=1S/C17H18FNO/c1-10-3-4-11(2)14(7-10)17-9-15(19)13-6-5-12(18)8-16(13)20-17/h3-8,15,17H,9,19H2,1-2H3
InChIKeyKFZDQURXAJKVOG-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.97
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710248) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710248
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C)c(C2CC(N)c3ccc(F)cc3O2)c1
InChIInChI=1S/C17H18FNO/c1-10-3-4-11(2)14(7-10)17-9-15(19)13-6-5-12(18)8-16(13)20-17/h3-8,15,17H,9,19H2,1-2H3
InChIKeyKFZDQURXAJKVOG-UHFFFAOYSA-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 ≤ 500271.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
(4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947604
(4R)-2-(2,3-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947901
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710334
(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 102846179
(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947762

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 114710248) is 2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(C)c(C2CC(N)c3ccc(F)cc3O2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KFZDQURXAJKVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-10-3-4-11(2)14(7-10)17-9-15(19)13-6-5-12(18)8-16(13)20-17/h3-8,15,17H,9,19H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 271.34 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 2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).