N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine

C15H21NOS — CID 81049134

IUPACN-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine
SMILESCOc1cccc2c(C)c(CNC(C)(C)C)sc12
InChIInChI=1S/C15H21NOS/c1-10-11-7-6-8-12(17-5)14(11)18-13(10)9-16-15(2,3)4/h6-8,16H,9H2,1-5H3
InChIKeyYVJLNJHXUCATRM-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.11
Rot. Bonds3

About N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine

N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 81049134) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID81049134
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine
SMILESCOc1cccc2c(C)c(CNC(C)(C)C)sc12
InChIInChI=1S/C15H21NOS/c1-10-11-7-6-8-12(17-5)14(11)18-13(10)9-16-15(2,3)4/h6-8,16H,9H2,1-5H3
InChIKeyYVJLNJHXUCATRM-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
CID 104843379
1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114378405
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
1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea
CID 143739716
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377449
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine
CID 62451084
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine (CID 81049134) is N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine is COc1cccc2c(C)c(CNC(C)(C)C)sc12.
What is the InChIKey of N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is YVJLNJHXUCATRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-10-11-7-6-8-12(17-5)14(11)18-13(10)9-16-15(2,3)4/h6-8,16H,9H2,1-5H3.
What are the key properties of N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine?
N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81049134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).