1-(4-propylphenyl)-2-thiophen-2-ylethanamine

C15H19NS — CID 62800451

IUPAC1-(4-propylphenyl)-2-thiophen-2-ylethanamine
SMILESCCCc1ccc(C(N)Cc2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-2-4-12-6-8-13(9-7-12)15(16)11-14-5-3-10-17-14/h3,5-10,15H,2,4,11,16H2,1H3
InChIKeySLTHYBNYAQMGML-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.94
Rot. Bonds5

About 1-(4-propylphenyl)-2-thiophen-2-ylethanamine

1-(4-propylphenyl)-2-thiophen-2-ylethanamine (PubChem CID 62800451) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(4-propylphenyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(4-propylphenyl)-2-thiophen-2-ylethanamine
PubChem CID62800451
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-(4-propylphenyl)-2-thiophen-2-ylethanamine
SMILESCCCc1ccc(C(N)Cc2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-2-4-12-6-8-13(9-7-12)15(16)11-14-5-3-10-17-14/h3,5-10,15H,2,4,11,16H2,1H3
InChIKeySLTHYBNYAQMGML-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105144372
1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79218005
(R)-(4-propylphenyl)-thiophen-2-ylmethanamine
CID 7129560
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105187931
1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine
CID 61080147
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
(4-butylphenyl)-thiophen-2-ylmethanamine
CID 4962878
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-(3-methylthiophen-2-yl)-2-thiophen-2-ylethanamine
CID 61079972
3-methyl-1-thiophen-2-ylhexan-2-amine
CID 61078853

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(4-propylphenyl)-2-thiophen-2-ylethanamine (CID 62800451) is 1-(4-propylphenyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(4-propylphenyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(4-propylphenyl)-2-thiophen-2-ylethanamine is CCCc1ccc(C(N)Cc2cccs2)cc1.
What is the InChIKey of 1-(4-propylphenyl)-2-thiophen-2-ylethanamine?
The InChIKey is SLTHYBNYAQMGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-2-4-12-6-8-13(9-7-12)15(16)11-14-5-3-10-17-14/h3,5-10,15H,2,4,11,16H2,1H3.
What are the key properties of 1-(4-propylphenyl)-2-thiophen-2-ylethanamine?
1-(4-propylphenyl)-2-thiophen-2-ylethanamine has a molecular weight of 245.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62800451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).