2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine

C16H17BrFNOS — CID 114713937

IUPAC2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2cc(Br)cs2)Oc2cc(F)ccc21
InChIInChI=1S/C16H17BrFNOS/c1-2-5-19-13-8-15(16-6-10(17)9-21-16)20-14-7-11(18)3-4-12(13)14/h3-4,6-7,9,13,15,19H,2,5,8H2,1H3
InChIKeyJGTPIOLTSHFVHG-UHFFFAOYSA-N
MW370.29 g/mol
LogP5.21
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine

2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713937) has the molecular formula C16H17BrFNOS and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713937
Molecular FormulaC16H17BrFNOS
Molecular Weight370.29 g/mol
Exact Mass369.02
IUPAC Name2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2cc(Br)cs2)Oc2cc(F)ccc21
InChIInChI=1S/C16H17BrFNOS/c1-2-5-19-13-8-15(16-6-10(17)9-21-16)20-14-7-11(18)3-4-12(13)14/h3-4,6-7,9,13,15,19H,2,5,8H2,1H3
InChIKeyJGTPIOLTSHFVHG-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.29
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 114713937) is 2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CC(c2cc(Br)cs2)Oc2cc(F)ccc21.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JGTPIOLTSHFVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNOS/c1-2-5-19-13-8-15(16-6-10(17)9-21-16)20-14-7-11(18)3-4-12(13)14/h3-4,6-7,9,13,15,19H,2,5,8H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine?
2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 370.29 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).