N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine

C15H21NOS — CID 126804186

IUPACN-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine
SMILESCOCC(C)CN(C)Cc1csc2ccccc12
InChIInChI=1S/C15H21NOS/c1-12(10-17-3)8-16(2)9-13-11-18-15-7-5-4-6-14(13)15/h4-7,11-12H,8-10H2,1-3H3
InChIKeyRSFQRLXZHDCGTJ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.62
Rot. Bonds6

About N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine

N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine (PubChem CID 126804186) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine
PubChem CID126804186
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine
SMILESCOCC(C)CN(C)Cc1csc2ccccc12
InChIInChI=1S/C15H21NOS/c1-12(10-17-3)8-16(2)9-13-11-18-15-7-5-4-6-14(13)15/h4-7,11-12H,8-10H2,1-3H3
InChIKeyRSFQRLXZHDCGTJ-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250957
1-[1-benzothiophen-3-ylmethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 167921704
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115257994
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737039
1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine
CID 131902585
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
4-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737038
methyl 4-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]benzoate
CID 55703451
N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
CID 86990643
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine (CID 126804186) is N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine is COCC(C)CN(C)Cc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine?
The InChIKey is RSFQRLXZHDCGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12(10-17-3)8-16(2)9-13-11-18-15-7-5-4-6-14(13)15/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine?
N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 126804186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).