1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine

C18H23NS — CID 116506059

IUPAC1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H23NS/c1-2-19-18(13-17-7-4-12-20-17)16-10-8-15(9-11-16)14-5-3-6-14/h4,7-12,14,18-19H,2-3,5-6,13H2,1H3
InChIKeySALITOZNTWXHQC-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.91
Rot. Bonds6

About 1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine

1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine (PubChem CID 116506059) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
PubChem CID116506059
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H23NS/c1-2-19-18(13-17-7-4-12-20-17)16-10-8-15(9-11-16)14-5-3-6-14/h4,7-12,14,18-19H,2-3,5-6,13H2,1H3
InChIKeySALITOZNTWXHQC-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63743167
N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 116506277
N-ethyl-1-(2-methylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179496
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 82809918
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine
CID 62502018
1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 113460855
1-(5-chlorofuran-2-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 106687804

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine (CID 116506059) is 1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The InChIKey is SALITOZNTWXHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-2-19-18(13-17-7-4-12-20-17)16-10-8-15(9-11-16)14-5-3-6-14/h4,7-12,14,18-19H,2-3,5-6,13H2,1H3.
What are the key properties of 1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 116506059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).