1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine

C17H23NS — CID 81399236

IUPAC1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCCc1ccc(C(CC)N[C@H](C)c2cccs2)cc1
InChIInChI=1S/C17H23NS/c1-4-14-8-10-15(11-9-14)16(5-2)18-13(3)17-7-6-12-19-17/h6-13,16,18H,4-5H2,1-3H3/t13-,16?/m1/s1
InChIKeyBPADMYCITJQDJS-JBZHPUCOSA-N
MW273.45 g/mol
LogP5.11
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine

1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine (PubChem CID 81399236) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
PubChem CID81399236
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC Name1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCCc1ccc(C(CC)N[C@H](C)c2cccs2)cc1
InChIInChI=1S/C17H23NS/c1-4-14-8-10-15(11-9-14)16(5-2)18-13(3)17-7-6-12-19-17/h6-13,16,18H,4-5H2,1-3H3/t13-,16?/m1/s1
InChIKeyBPADMYCITJQDJS-JBZHPUCOSA-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 ≤ 500273.45
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-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398782
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
1-(furan-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399156
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine (CID 81399236) is 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine is CCc1ccc(C(CC)N[C@H](C)c2cccs2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is BPADMYCITJQDJS-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-14-8-10-15(11-9-14)16(5-2)18-13(3)17-7-6-12-19-17/h6-13,16,18H,4-5H2,1-3H3/t13-,16?/m1/s1.
What are the key properties of 1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 273.45 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-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 81399236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).