N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine

C16H23NOS — CID 114377869

IUPACN-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
SMILESCCNCc1sc2ccc(OC)cc2c1CC(C)C
InChIInChI=1S/C16H23NOS/c1-5-17-10-16-13(8-11(2)3)14-9-12(18-4)6-7-15(14)19-16/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyPQAYHAKUEFIYIE-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.22
Rot. Bonds6

About N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine

N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine (PubChem CID 114377869) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
PubChem CID114377869
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
SMILESCCNCc1sc2ccc(OC)cc2c1CC(C)C
InChIInChI=1S/C16H23NOS/c1-5-17-10-16-13(8-11(2)3)14-9-12(18-4)6-7-15(14)19-16/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyPQAYHAKUEFIYIE-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[7-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114378380
N-[(5-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 81049277
N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine
CID 114377984
(2-amino-5-methoxy-1-benzothiophen-3-yl)methanol
CID 130855217
N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 113459877
2-ethoxy-8-methoxydibenzothiophene
CID 172565133
2-chloro-3-(chloromethyl)-5-methoxy-1-benzothiophene
CID 130926294
N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114364975
N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972150
3,5-dimethoxy-1-benzothiophen-2-ol
CID 131098457
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
4-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzothiophen-3-yl]-3,3-dimethylbutan-2-one
CID 68947763

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine (CID 114377869) is N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine is CCNCc1sc2ccc(OC)cc2c1CC(C)C.
What is the InChIKey of N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine?
The InChIKey is PQAYHAKUEFIYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-5-17-10-16-13(8-11(2)3)14-9-12(18-4)6-7-15(14)19-16/h6-7,9,11,17H,5,8,10H2,1-4H3.
What are the key properties of N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine?
N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine has a molecular weight of 277.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 114377869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).