N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine

C13H17NS — CID 81047775

IUPACN-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
SMILESCNCc1sc2cc(C)c(C)cc2c1C
InChIInChI=1S/C13H17NS/c1-8-5-11-10(3)13(7-14-4)15-12(11)6-9(8)2/h5-6,14H,7H2,1-4H3
InChIKeyLWLAFHDPECMIGG-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.55
Rot. Bonds2

About N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine

N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine (PubChem CID 81047775) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
PubChem CID81047775
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC NameN-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
SMILESCNCc1sc2cc(C)c(C)cc2c1C
InChIInChI=1S/C13H17NS/c1-8-5-11-10(3)13(7-14-4)15-12(11)6-9(8)2/h5-6,14H,7H2,1-4H3
InChIKeyLWLAFHDPECMIGG-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Benzo[b]thiophen-2-yl)-N-methylmethanamine
CID 693141
1-Benzothiophen-5-ylmethylamine
CID 2795448
(5-Tert-butyl-1-benzothiophen-2-yl)methanamine
CID 84740294
((1-Benzothiophen-2-yl)methyl)(methyl)amine hydrochloride
CID 16956076
N-methyl-2-(5-methyl-1-benzothien-3-yl)ethanamine
CID 31579
(5-Cyclopropyl-1-benzothiophen-2-yl)methanamine
CID 155546168
Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1)
CID 31578
1,2,3,4-Tetrahydro-[1]benzothiolo[2,3-h]isoquinoline;hydrochloride
CID 45263922
N-methyl(3-methylbenzo[b]thiophen-2-yl)methanamine
CID 22593745
1-(3-Methyl-1-benzothiophen-5-yl)methanamine hydrochloride
CID 154814321
1-(2-Methyl-1-benzothiophen-5-yl)methanamine hydrochloride
CID 165997087
N,3-dimethyl-1-benzothiophene-2-carbothioamide
CID 2824355

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine (CID 81047775) is N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine is CNCc1sc2cc(C)c(C)cc2c1C.
What is the InChIKey of N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine?
The InChIKey is LWLAFHDPECMIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-8-5-11-10(3)13(7-14-4)15-12(11)6-9(8)2/h5-6,14H,7H2,1-4H3.
What are the key properties of N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine?
N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine has a molecular weight of 219.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 81047775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).