[3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine

C19H18N2S — CID 69156541

IUPAC[3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine
SMILESCc1cccc(/C=C/c2cccc(C(N)c3cccs3)c2)n1
InChIInChI=1S/C19H18N2S/c1-14-5-2-8-17(21-14)11-10-15-6-3-7-16(13-15)19(20)18-9-4-12-22-18/h2-13,19H,20H2,1H3/b11-10+
InChIKeyXDRYVWXRPOHDAP-ZHACJKMWSA-N
MW306.43 g/mol
LogP4.67
Rot. Bonds4

About [3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine

[3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine (PubChem CID 69156541) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol. Its IUPAC name is [3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name[3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine
PubChem CID69156541
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC Name[3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine
SMILESCc1cccc(/C=C/c2cccc(C(N)c3cccs3)c2)n1
InChIInChI=1S/C19H18N2S/c1-14-5-2-8-17(21-14)11-10-15-6-3-7-16(13-15)19(20)18-9-4-12-22-18/h2-13,19H,20H2,1H3/b11-10+
InChIKeyXDRYVWXRPOHDAP-ZHACJKMWSA-N
XLogP4.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine?
The IUPAC name of [3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine (CID 69156541) is [3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine.
What is the SMILES notation for [3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine?
The canonical SMILES for [3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine is Cc1cccc(/C=C/c2cccc(C(N)c3cccs3)c2)n1.
What is the InChIKey of [3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine?
The InChIKey is XDRYVWXRPOHDAP-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18N2S/c1-14-5-2-8-17(21-14)11-10-15-6-3-7-16(13-15)19(20)18-9-4-12-22-18/h2-13,19H,20H2,1H3/b11-10+.
What are the key properties of [3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine?
[3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine has a molecular weight of 306.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 69156541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).