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

C15H21NS — CID 114377984

IUPACN-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine
SMILESCNCc1sc2ccc(C)cc2c1CC(C)C
InChIInChI=1S/C15H21NS/c1-10(2)7-12-13-8-11(3)5-6-14(13)17-15(12)9-16-4/h5-6,8,10,16H,7,9H2,1-4H3
InChIKeyUSFMAGMWIWAJLN-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.13
Rot. Bonds4

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

N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine (PubChem CID 114377984) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine
PubChem CID114377984
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine
SMILESCNCc1sc2ccc(C)cc2c1CC(C)C
InChIInChI=1S/C15H21NS/c1-10(2)7-12-13-8-11(3)5-6-14(13)17-15(12)9-16-4/h5-6,8,10,16H,7,9H2,1-4H3
InChIKeyUSFMAGMWIWAJLN-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine 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-(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)-N-methylmethanamine
CID 114377850
N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114377869
1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114378104
5-methyl-2-(2-methylpropyl)-1-benzothiophene
CID 70881038
2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
CID 130914616
N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 113459877
1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62445616
N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
CID 81047775
3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene
CID 130951803
N-[(5-fluoro-3-propan-2-yl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378033
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
N,N,N'-trimethyl-N'-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]ethane-1,2-diamine
CID 63701253

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine (CID 114377984) is N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine is CNCc1sc2ccc(C)cc2c1CC(C)C.
What is the InChIKey of N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine?
The InChIKey is USFMAGMWIWAJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-10(2)7-12-13-8-11(3)5-6-14(13)17-15(12)9-16-4/h5-6,8,10,16H,7,9H2,1-4H3.
What are the key properties of N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine?
N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine has a molecular weight of 247.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 114377984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).