7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

C17H18FNO2 — CID 114713587

IUPAC7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cccc(OC)c2)Oc2cc(F)ccc21
InChIInChI=1S/C17H18FNO2/c1-19-15-10-16(11-4-3-5-13(8-11)20-2)21-17-9-12(18)6-7-14(15)17/h3-9,15-16,19H,10H2,1-2H3
InChIKeyXLYFOIDPHLYNSX-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.62
Rot. Bonds3

About 7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713587) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713587
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cccc(OC)c2)Oc2cc(F)ccc21
InChIInChI=1S/C17H18FNO2/c1-19-15-10-16(11-4-3-5-13(8-11)20-2)21-17-9-12(18)6-7-14(15)17/h3-9,15-16,19H,10H2,1-2H3
InChIKeyXLYFOIDPHLYNSX-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713681
7-fluoro-N-methyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713662
3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 114710520
7-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713682
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776
2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114868444
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
6-fluoro-2-(4-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710493
7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713701
(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951800
2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715708

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114713587) is 7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cccc(OC)c2)Oc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XLYFOIDPHLYNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19-15-10-16(11-4-3-5-13(8-11)20-2)21-17-9-12(18)6-7-14(15)17/h3-9,15-16,19H,10H2,1-2H3.
What are the key properties of 7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 287.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).