5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine

C15H14ClNOS — CID 171780466

IUPAC5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine
SMILESCC1(C)C=Cc2cccc(-c3cc(N)sc3Cl)c2O1
InChIInChI=1S/C15H14ClNOS/c1-15(2)7-6-9-4-3-5-10(13(9)18-15)11-8-12(17)19-14(11)16/h3-8H,17H2,1-2H3
InChIKeyNUZXTJMZSFFENK-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.83
Rot. Bonds1

About 5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine

5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine (PubChem CID 171780466) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine
PubChem CID171780466
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine
SMILESCC1(C)C=Cc2cccc(-c3cc(N)sc3Cl)c2O1
InChIInChI=1S/C15H14ClNOS/c1-15(2)7-6-9-4-3-5-10(13(9)18-15)11-8-12(17)19-14(11)16/h3-8H,17H2,1-2H3
InChIKeyNUZXTJMZSFFENK-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine?
The IUPAC name of 5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine (CID 171780466) is 5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine.
What is the SMILES notation for 5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine?
The canonical SMILES for 5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine is CC1(C)C=Cc2cccc(-c3cc(N)sc3Cl)c2O1.
What is the InChIKey of 5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine?
The InChIKey is NUZXTJMZSFFENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-15(2)7-6-9-4-3-5-10(13(9)18-15)11-8-12(17)19-14(11)16/h3-8H,17H2,1-2H3.
What are the key properties of 5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine?
5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,2-dimethylchromen-8-yl)thiophen-2-amine is sourced from PubChem (CID 171780466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).