2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine

C13H12ClNOS — CID 170868982

IUPAC2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine
SMILESNCCc1cc2c(s1)-c1cc(Cl)ccc1OC2
InChIInChI=1S/C13H12ClNOS/c14-9-1-2-12-11(6-9)13-8(7-16-12)5-10(17-13)3-4-15/h1-2,5-6H,3-4,7,15H2
InChIKeyDPOZGZNUHAEJEZ-UHFFFAOYSA-N
MW265.76 g/mol
LogP3.46
Rot. Bonds2

About 2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine

2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine (PubChem CID 170868982) has the molecular formula C13H12ClNOS and a molecular weight of 265.76 g/mol. Its IUPAC name is 2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine
PubChem CID170868982
Molecular FormulaC13H12ClNOS
Molecular Weight265.76 g/mol
Exact Mass265.03
IUPAC Name2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine
SMILESNCCc1cc2c(s1)-c1cc(Cl)ccc1OC2
InChIInChI=1S/C13H12ClNOS/c14-9-1-2-12-11(6-9)13-8(7-16-12)5-10(17-13)3-4-15/h1-2,5-6H,3-4,7,15H2
InChIKeyDPOZGZNUHAEJEZ-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine?
The IUPAC name of 2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine (CID 170868982) is 2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine.
What is the SMILES notation for 2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine?
The canonical SMILES for 2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine is NCCc1cc2c(s1)-c1cc(Cl)ccc1OC2.
What is the InChIKey of 2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine?
The InChIKey is DPOZGZNUHAEJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c14-9-1-2-12-11(6-9)13-8(7-16-12)5-10(17-13)3-4-15/h1-2,5-6H,3-4,7,15H2.
What are the key properties of 2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine?
2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine has a molecular weight of 265.76 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-4H-thieno[3,2-c]chromen-2-yl)ethanamine is sourced from PubChem (CID 170868982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).