7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine

C16H18BrNOS — CID 114711885

IUPAC7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2ccsc2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H18BrNOS/c1-2-6-18-14-9-15(11-5-7-20-10-11)19-16-8-12(17)3-4-13(14)16/h3-5,7-8,10,14-15,18H,2,6,9H2,1H3
InChIKeyOEKCAIKJRVHNFY-UHFFFAOYSA-N
MW352.30 g/mol
LogP5.08
Rot. Bonds4

About 7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine

7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711885) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711885
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2ccsc2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H18BrNOS/c1-2-6-18-14-9-15(11-5-7-20-10-11)19-16-8-12(17)3-4-13(14)16/h3-5,7-8,10,14-15,18H,2,6,9H2,1H3
InChIKeyOEKCAIKJRVHNFY-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.30
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713937
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711926
7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711830
7-fluoro-N-methyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713662
7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711788
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712293
7-fluoro-N-propyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713915
6-fluoro-2-phenyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710740
7-bromo-2-thiophen-3-yl-2,3-dihydrochromen-4-one
CID 114673268
7-bromo-N-methyl-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711607
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine (CID 114711885) is 7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CC(c2ccsc2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OEKCAIKJRVHNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-2-6-18-14-9-15(11-5-7-20-10-11)19-16-8-12(17)3-4-13(14)16/h3-5,7-8,10,14-15,18H,2,6,9H2,1H3.
What are the key properties of 7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine?
7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 352.30 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).