1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine

C17H23NS — CID 43287473

IUPAC1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2ccc(C)cc2)s1
InChIInChI=1S/C17H23NS/c1-4-12-18-15(5-2)17-11-10-16(19-17)14-8-6-13(3)7-9-14/h6-11,15,18H,4-5,12H2,1-3H3
InChIKeyRTSAICGNYZKLFO-UHFFFAOYSA-N
MW273.45 g/mol
LogP5.17
Rot. Bonds6

About 1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine

1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine (PubChem CID 43287473) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
PubChem CID43287473
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC Name1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2ccc(C)cc2)s1
InChIInChI=1S/C17H23NS/c1-4-12-18-15(5-2)17-11-10-16(19-17)14-8-6-13(3)7-9-14/h6-11,15,18H,4-5,12H2,1-3H3
InChIKeyRTSAICGNYZKLFO-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 107586228
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 63400689
1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43288036
1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287611
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287799
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287778
1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43288084
N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 79049605

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine (CID 43287473) is 1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(-c2ccc(C)cc2)s1.
What is the InChIKey of 1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The InChIKey is RTSAICGNYZKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-12-18-15(5-2)17-11-10-16(19-17)14-8-6-13(3)7-9-14/h6-11,15,18H,4-5,12H2,1-3H3.
What are the key properties of 1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine has a molecular weight of 273.45 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 43287473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).