1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine

C17H23NS — CID 81398434

IUPAC1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
SMILESCCCc1ccc(C(C)N[C@@H](C)c2cccs2)cc1
InChIInChI=1S/C17H23NS/c1-4-6-15-8-10-16(11-9-15)13(2)18-14(3)17-7-5-12-19-17/h5,7-14,18H,4,6H2,1-3H3/t13?,14-/m0/s1
InChIKeyUHNFZCIIBQKCJV-KZUDCZAMSA-N
MW273.44 g/mol
LogP5.11
Rot. Bonds6

About 1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine

1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine (PubChem CID 81398434) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
PubChem CID81398434
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
SMILESCCCc1ccc(C(C)N[C@@H](C)c2cccs2)cc1
InChIInChI=1S/C17H23NS/c1-4-6-15-8-10-16(11-9-15)13(2)18-14(3)17-7-5-12-19-17/h5,7-14,18H,4,6H2,1-3H3/t13?,14-/m0/s1
InChIKeyUHNFZCIIBQKCJV-KZUDCZAMSA-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-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81409318
1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 55122255
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
(R)-(4-propylphenyl)-thiophen-2-ylmethanamine
CID 7129560
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9136299
1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398234
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136328
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The IUPAC name of 1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine (CID 81398434) is 1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The canonical SMILES for 1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine is CCCc1ccc(C(C)N[C@@H](C)c2cccs2)cc1.
What is the InChIKey of 1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The InChIKey is UHNFZCIIBQKCJV-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-6-15-8-10-16(11-9-15)13(2)18-14(3)17-7-5-12-19-17/h5,7-14,18H,4,6H2,1-3H3/t13?,14-/m0/s1.
What are the key properties of 1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-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-[(1S)-1-thiophen-2-ylethyl]ethanamine is sourced from PubChem (CID 81398434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).