N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine

C15H21NOS — CID 114377779

IUPACN-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine
SMILESCCNCc1sc2c(C)ccc(C)c2c1COC
InChIInChI=1S/C15H21NOS/c1-5-16-8-13-12(9-17-4)14-10(2)6-7-11(3)15(14)18-13/h6-7,16H,5,8-9H2,1-4H3
InChIKeyIADNPWSHELTMPK-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.77
Rot. Bonds5

About N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine

N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine (PubChem CID 114377779) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine
PubChem CID114377779
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine
SMILESCCNCc1sc2c(C)ccc(C)c2c1COC
InChIInChI=1S/C15H21NOS/c1-5-16-8-13-12(9-17-4)14-10(2)6-7-11(3)15(14)18-13/h6-7,16H,5,8-9H2,1-4H3
InChIKeyIADNPWSHELTMPK-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[7-bromo-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114378246
N-[(4,7-dichloro-3-ethyl-1-benzothiophen-2-yl)methyl]ethanamine
CID 113459883
N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366259
N-[(7-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 114378379
N-[[7-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114378380
N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 114378133
N-[[4-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]-1-benzothiophen-2-yl]methyl]ethanamine
CID 62455469
N-[[4-fluoro-3-(2-methylbutan-2-yloxymethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 62456056
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
N-[[2-(ethylaminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-2-methoxy-N-methylethanamine
CID 62448216
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189
5-(ethylaminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-2-sulfonamide
CID 106092675

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine (CID 114377779) is N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine is CCNCc1sc2c(C)ccc(C)c2c1COC.
What is the InChIKey of N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine?
The InChIKey is IADNPWSHELTMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-5-16-8-13-12(9-17-4)14-10(2)6-7-11(3)15(14)18-13/h6-7,16H,5,8-9H2,1-4H3.
What are the key properties of N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine?
N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 114377779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).