4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline

C17H24N2S — CID 61333939

IUPAC4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
SMILESCCc1ccc(C(C)NCc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C17H24N2S/c1-5-16-10-11-17(20-16)13(2)18-12-14-6-8-15(9-7-14)19(3)4/h6-11,13,18H,5,12H2,1-4H3
InChIKeyOEOBOQCGVRHORA-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.23
Rot. Bonds6

About 4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline

4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline (PubChem CID 61333939) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
PubChem CID61333939
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
SMILESCCc1ccc(C(C)NCc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C17H24N2S/c1-5-16-10-11-17(20-16)13(2)18-12-14-6-8-15(9-7-14)19(3)4/h6-11,13,18H,5,12H2,1-4H3
InChIKeyOEOBOQCGVRHORA-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 61334131
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 107167179
1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 61336092
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 61334719
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61061113
1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 62369422
2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945989
1-(5-ethylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280479
1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713093
1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902899

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline (CID 61333939) is 4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline is CCc1ccc(C(C)NCc2ccc(N(C)C)cc2)s1.
What is the InChIKey of 4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline?
The InChIKey is OEOBOQCGVRHORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-16-10-11-17(20-16)13(2)18-12-14-6-8-15(9-7-14)19(3)4/h6-11,13,18H,5,12H2,1-4H3.
What are the key properties of 4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline?
4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline has a molecular weight of 288.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 61333939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).