1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

C17H23NS — CID 115857169

IUPAC1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1ccc(C)cc1C
InChIInChI=1S/C17H23NS/c1-4-18-17(8-6-15-9-10-19-12-15)16-7-5-13(2)11-14(16)3/h5,7,9-12,17-18H,4,6,8H2,1-3H3
InChIKeyRYDZULPCTZQSCD-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.65
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 115857169) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
PubChem CID115857169
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1ccc(C)cc1C
InChIInChI=1S/C17H23NS/c1-4-18-17(8-6-15-9-10-19-12-15)16-7-5-13(2)11-14(16)3/h5,7,9-12,17-18H,4,6,8H2,1-3H3
InChIKeyRYDZULPCTZQSCD-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147843
1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856849
N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115857109
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857164
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 114894917
1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857101
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
CID 102757512
1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
CID 64647574
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857053
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803668

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (CID 115857169) is 1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is CCNC(CCc1ccsc1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is RYDZULPCTZQSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-18-17(8-6-15-9-10-19-12-15)16-7-5-13(2)11-14(16)3/h5,7,9-12,17-18H,4,6,8H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115857169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).