1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine

C16H21NS — CID 43287933

IUPAC1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cc(C)ccc2C)s1
InChIInChI=1S/C16H21NS/c1-5-14(17-4)16-9-8-15(18-16)13-10-11(2)6-7-12(13)3/h6-10,14,17H,5H2,1-4H3
InChIKeyZAIIDWGMXSJKDP-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.70
Rot. Bonds4

About 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine

1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine (PubChem CID 43287933) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
PubChem CID43287933
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cc(C)ccc2C)s1
InChIInChI=1S/C16H21NS/c1-5-14(17-4)16-9-8-15(18-16)13-10-11(2)6-7-12(13)3/h6-10,14,17H,5H2,1-4H3
InChIKeyZAIIDWGMXSJKDP-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine (CID 43287933) is 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2cc(C)ccc2C)s1.
What is the InChIKey of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine?
The InChIKey is ZAIIDWGMXSJKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-5-14(17-4)16-9-8-15(18-16)13-10-11(2)6-7-12(13)3/h6-10,14,17H,5H2,1-4H3.
What are the key properties of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine?
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 43287933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).