1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine

C15H20N2S — CID 82541591

IUPAC1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2cccc(CN(C)C)c2)s1
InChIInChI=1S/C15H20N2S/c1-11(16)14-7-8-15(18-14)13-6-4-5-12(9-13)10-17(2)3/h4-9,11H,10,16H2,1-3H3
InChIKeyYNLRZHHPXUPASH-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.50
Rot. Bonds4

About 1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine

1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine (PubChem CID 82541591) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine
PubChem CID82541591
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2cccc(CN(C)C)c2)s1
InChIInChI=1S/C15H20N2S/c1-11(16)14-7-8-15(18-14)13-6-4-5-12(9-13)10-17(2)3/h4-9,11H,10,16H2,1-3H3
InChIKeyYNLRZHHPXUPASH-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine
CID 82541595
1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine
CID 43363583
1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541578
1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287985
4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
CID 88924668
1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine
CID 82540027
2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43154485
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43331844
1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine
CID 82542221
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine?
The IUPAC name of 1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine (CID 82541591) is 1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine.
What is the SMILES notation for 1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine?
The canonical SMILES for 1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine is CC(N)c1ccc(-c2cccc(CN(C)C)c2)s1.
What is the InChIKey of 1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine?
The InChIKey is YNLRZHHPXUPASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(16)14-7-8-15(18-14)13-6-4-5-12(9-13)10-17(2)3/h4-9,11H,10,16H2,1-3H3.
What are the key properties of 1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine?
1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine is sourced from PubChem (CID 82541591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).