[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine

C20H16N2OS — CID 58622559

IUPAC[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine
SMILESNCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H16N2OS/c21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11,21H2
InChIKeyIQMDFVBZPQCECT-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.21
Rot. Bonds4

About [4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine

[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine (PubChem CID 58622559) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is [4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine
PubChem CID58622559
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine
SMILESNCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H16N2OS/c21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11,21H2
InChIKeyIQMDFVBZPQCECT-UHFFFAOYSA-N
XLogP5.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 10216158
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CID 10287346
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CID 25218753
CID 25218753
CID 25218754
CID 25218754
CID 9900816
CID 9900816
CID 9856682
CID 9856682
CID 9858009
CID 9858009
CID 9878930
CID 9878930
CID 9922793
CID 9922793
CID 9944101
CID 9944101
CID 9946991
CID 9946991
CID 9967126
CID 9967126

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
The IUPAC name of [4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine (CID 58622559) is [4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine.
What is the SMILES notation for [4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
The canonical SMILES for [4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine is NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of [4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
The InChIKey is IQMDFVBZPQCECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11,21H2.
What are the key properties of [4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine has a molecular weight of 332.43 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine is sourced from PubChem (CID 58622559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).