1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine

C17H17NS2 — CID 43433741

IUPAC1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
SMILESCc1cccc(CNCc2cc(-c3cccs3)cs2)c1
InChIInChI=1S/C17H17NS2/c1-13-4-2-5-14(8-13)10-18-11-16-9-15(12-20-16)17-6-3-7-19-17/h2-9,12,18H,10-11H2,1H3
InChIKeySTQSRWYNHGBETR-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.07
Rot. Bonds5

About 1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine

1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine (PubChem CID 43433741) has the molecular formula C17H17NS2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
PubChem CID43433741
Molecular FormulaC17H17NS2
Molecular Weight299.46 g/mol
Exact Mass299.08
IUPAC Name1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
SMILESCc1cccc(CNCc2cc(-c3cccs3)cs2)c1
InChIInChI=1S/C17H17NS2/c1-13-4-2-5-14(8-13)10-18-11-16-9-15(12-20-16)17-6-3-7-19-17/h2-9,12,18H,10-11H2,1H3
InChIKeySTQSRWYNHGBETR-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine (CID 43433741) is 1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine is Cc1cccc(CNCc2cc(-c3cccs3)cs2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
The InChIKey is STQSRWYNHGBETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS2/c1-13-4-2-5-14(8-13)10-18-11-16-9-15(12-20-16)17-6-3-7-19-17/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine has a molecular weight of 299.46 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 43433741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).