N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine

C13H17NS — CID 117184526

IUPACN-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
SMILESCc1cccc2scc(CNC(C)C)c12
InChIInChI=1S/C13H17NS/c1-9(2)14-7-11-8-15-12-6-4-5-10(3)13(11)12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyFHGPYMLYYOIPPB-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.71
Rot. Bonds3

About N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine

N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine (PubChem CID 117184526) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
PubChem CID117184526
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC NameN-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
SMILESCc1cccc2scc(CNC(C)C)c12
InChIInChI=1S/C13H17NS/c1-9(2)14-7-11-8-15-12-6-4-5-10(3)13(11)12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyFHGPYMLYYOIPPB-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-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

N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
1-(4-methyl-1-benzothiophen-3-yl)ethanamine
CID 117119248
N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine
CID 114748967
N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178182
N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610137
N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178167
(4-methyl-1-benzothiophen-3-yl)methyl 2,2,2-trifluoroacetate
CID 11208073
[3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine
CID 117170768
(2S)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid
CID 59497444
N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794
N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62697930

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine (CID 117184526) is N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine is Cc1cccc2scc(CNC(C)C)c12.
What is the InChIKey of N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine?
The InChIKey is FHGPYMLYYOIPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-9(2)14-7-11-8-15-12-6-4-5-10(3)13(11)12/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine?
N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 117184526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).