1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

C15H21N3S — CID 61316733

IUPAC1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCCn1ccnc1C(NC)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H21N3S/c1-3-18-9-8-17-15(18)14(16-2)13-10-11-6-4-5-7-12(11)19-13/h8-10,14,16H,3-7H2,1-2H3
InChIKeyXNJZSLAZAZRXCF-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.15
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (PubChem CID 61316733) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
PubChem CID61316733
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCCn1ccnc1C(NC)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H21N3S/c1-3-18-9-8-17-15(18)14(16-2)13-10-11-6-4-5-7-12(11)19-13/h8-10,14,16H,3-7H2,1-2H3
InChIKeyXNJZSLAZAZRXCF-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316345
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009197
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine
CID 114283536
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 80533140
1-(cyclopenten-1-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 62078344
N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 105011203
N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 105017490
1-(1-ethylimidazol-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 63022367
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 65279137
1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 43485370
1-(1-ethylimidazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65195336
1-(2-methoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115793274

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (CID 61316733) is 1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is CCn1ccnc1C(NC)c1cc2c(s1)CCCC2.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The InChIKey is XNJZSLAZAZRXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-18-9-8-17-15(18)14(16-2)13-10-11-6-4-5-7-12(11)19-13/h8-10,14,16H,3-7H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 61316733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).