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

C18H19NS2 — CID 43433657

IUPAC1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccccc1C(C)NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C18H19NS2/c1-13-6-3-4-7-17(13)14(2)19-11-16-10-15(12-21-16)18-8-5-9-20-18/h3-10,12,14,19H,11H2,1-2H3
InChIKeyNGWISISYCNYWGX-UHFFFAOYSA-N
MW313.49 g/mol
LogP5.64
Rot. Bonds5

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

1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (PubChem CID 43433657) has the molecular formula C18H19NS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
PubChem CID43433657
Molecular FormulaC18H19NS2
Molecular Weight313.49 g/mol
Exact Mass313.10
IUPAC Name1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccccc1C(C)NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C18H19NS2/c1-13-6-3-4-7-17(13)14(2)19-11-16-10-15(12-21-16)18-8-5-9-20-18/h3-10,12,14,19H,11H2,1-2H3
InChIKeyNGWISISYCNYWGX-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81354936
1-(2-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433659
N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 43085346
(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 115680155
2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]propanoic acid
CID 54959776
1-(3-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433645
(1R)-1-(3-fluorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81369744
1-(3-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433745
4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 103700932
(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81390018
1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 103768976

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (CID 43433657) is 1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is Cc1ccccc1C(C)NCc1cc(-c2cccs2)cs1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The InChIKey is NGWISISYCNYWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS2/c1-13-6-3-4-7-17(13)14(2)19-11-16-10-15(12-21-16)18-8-5-9-20-18/h3-10,12,14,19H,11H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine has a molecular weight of 313.49 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43433657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).