1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine

C17H23NS — CID 55122255

IUPAC1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
SMILESCCCc1ccc(C(C)NC(C)c2ccsc2)cc1
InChIInChI=1S/C17H23NS/c1-4-5-15-6-8-16(9-7-15)13(2)18-14(3)17-10-11-19-12-17/h6-14,18H,4-5H2,1-3H3
InChIKeyKGFHKJOBUVKBBD-UHFFFAOYSA-N
MW273.44 g/mol
LogP5.11
Rot. Bonds6

About 1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine

1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine (PubChem CID 55122255) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
PubChem CID55122255
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
SMILESCCCc1ccc(C(C)NC(C)c2ccsc2)cc1
InChIInChI=1S/C17H23NS/c1-4-5-15-6-8-16(9-7-15)13(2)18-14(3)17-10-11-19-12-17/h6-14,18H,4-5H2,1-3H3
InChIKeyKGFHKJOBUVKBBD-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103785297
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62841313
4-[1-(1-thiophen-3-ylethylamino)propyl]phenol
CID 62840966
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
2-[1-(4-propylphenyl)ethylamino]propanoic acid
CID 54959765
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine?
The IUPAC name of 1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine (CID 55122255) is 1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine?
The canonical SMILES for 1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine is CCCc1ccc(C(C)NC(C)c2ccsc2)cc1.
What is the InChIKey of 1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine?
The InChIKey is KGFHKJOBUVKBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-5-15-6-8-16(9-7-15)13(2)18-14(3)17-10-11-19-12-17/h6-14,18H,4-5H2,1-3H3.
What are the key properties of 1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine?
1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine has a molecular weight of 273.44 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine is sourced from PubChem (CID 55122255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).