N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine

C19H25NS — CID 115849606

IUPACN-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
SMILESCNC(CCCc1ccccc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C19H25NS/c1-20-17(12-7-10-15-8-3-2-4-9-15)19-14-16-11-5-6-13-18(16)21-19/h2-4,8-9,14,17,20H,5-7,10-13H2,1H3
InChIKeyCPYKWFLKGMUFGD-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.91
Rot. Bonds6

About N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine

N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine (PubChem CID 115849606) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
PubChem CID115849606
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
SMILESCNC(CCCc1ccccc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C19H25NS/c1-20-17(12-7-10-15-8-3-2-4-9-15)19-14-16-11-5-6-13-18(16)21-19/h2-4,8-9,14,17,20H,5-7,10-13H2,1H3
InChIKeyCPYKWFLKGMUFGD-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-4-phenylbutan-1-amine
CID 115849649
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)decan-1-amine
CID 115831741
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)heptan-1-amine
CID 115833589
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylnonan-1-amine
CID 115835124
N-methyl-4-methylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
CID 115820921
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864830
N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 115849469
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 105003770
1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentylhydrazine
CID 105293687
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 115849173
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine
CID 115849427

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine?
The IUPAC name of N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine (CID 115849606) is N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine is CNC(CCCc1ccccc1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine?
The InChIKey is CPYKWFLKGMUFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-20-17(12-7-10-15-8-3-2-4-9-15)19-14-16-11-5-6-13-18(16)21-19/h2-4,8-9,14,17,20H,5-7,10-13H2,1H3.
What are the key properties of N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine?
N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine has a molecular weight of 299.48 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 N-methyl-4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine is sourced from PubChem (CID 115849606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).