1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine

C16H21NS — CID 43154369

IUPAC1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCc1cc(C)cc(-c2ccc(C(N)C(C)C)s2)c1
InChIInChI=1S/C16H21NS/c1-10(2)16(17)15-6-5-14(18-15)13-8-11(3)7-12(4)9-13/h5-10,16H,17H2,1-4H3
InChIKeyJLOPIYQLYGBGCL-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.69
Rot. Bonds3

About 1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine

1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine (PubChem CID 43154369) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
PubChem CID43154369
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCc1cc(C)cc(-c2ccc(C(N)C(C)C)s2)c1
InChIInChI=1S/C16H21NS/c1-10(2)16(17)15-6-5-14(18-15)13-8-11(3)7-12(4)9-13/h5-10,16H,17H2,1-4H3
InChIKeyJLOPIYQLYGBGCL-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 107577065
1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154231
2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43154485
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]-2-methylpropan-1-amine
CID 65490846
1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 114262318
2-methyl-1-[5-(2-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43363500
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethanamine
CID 107586222
2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine
CID 43331832
1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154444
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine
CID 79049374
(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine
CID 55293617

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine (CID 43154369) is 1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine is Cc1cc(C)cc(-c2ccc(C(N)C(C)C)s2)c1.
What is the InChIKey of 1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The InChIKey is JLOPIYQLYGBGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-10(2)16(17)15-6-5-14(18-15)13-8-11(3)7-12(4)9-13/h5-10,16H,17H2,1-4H3.
What are the key properties of 1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine?
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 43154369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).