1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine

C18H19NS — CID 104990399

IUPAC1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2csc3ccccc23)cc1C
InChIInChI=1S/C18H19NS/c1-11-8-13(3)15(9-12(11)2)18(19)16-10-20-17-7-5-4-6-14(16)17/h4-10,18H,19H2,1-3H3
InChIKeyMANUXPJHVZWQFB-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.87
Rot. Bonds2

About 1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine

1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine (PubChem CID 104990399) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
PubChem CID104990399
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2csc3ccccc23)cc1C
InChIInChI=1S/C18H19NS/c1-11-8-13(3)15(9-12(11)2)18(19)16-10-20-17-7-5-4-6-14(16)17/h4-10,18H,19H2,1-3H3
InChIKeyMANUXPJHVZWQFB-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400623
1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045167
naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 64990309
1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 55108307
1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024860
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine
CID 116937094
1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
1-(1-benzothiophen-3-yl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483920
1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine
CID 81127792
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine (CID 104990399) is 1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2csc3ccccc23)cc1C.
What is the InChIKey of 1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is MANUXPJHVZWQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-11-8-13(3)15(9-12(11)2)18(19)16-10-20-17-7-5-4-6-14(16)17/h4-10,18H,19H2,1-3H3.
What are the key properties of 1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine?
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 281.42 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 104990399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).