1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine

C16H23NS — CID 114377780

IUPAC1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2c(C)ccc(C)c2c1C(C)(C)C
InChIInChI=1S/C16H23NS/c1-10-7-8-11(2)15-13(10)14(16(3,4)5)12(18-15)9-17-6/h7-8,17H,9H2,1-6H3
InChIKeyGMLOTEVBVMKCGM-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.54
Rot. Bonds2

About 1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine

1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 114377780) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID114377780
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2c(C)ccc(C)c2c1C(C)(C)C
InChIInChI=1S/C16H23NS/c1-10-7-8-11(2)15-13(10)14(16(3,4)5)12(18-15)9-17-6/h7-8,17H,9H2,1-6H3
InChIKeyGMLOTEVBVMKCGM-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine
CID 114378025
1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
CID 102972175
N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine
CID 114377779
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
N-methyl-1-(3,5,7-trimethyl-1-benzothiophen-2-yl)methanamine
CID 81048721
1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547
1-(9-tert-butyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)-N-methylmethanamine
CID 114378456
1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine
CID 90764518
1-[2-(4-bromo-3,5-dimethylphenyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362506
1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176703161
N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
CID 81047775
1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362289

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine (CID 114377780) is 1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine is CNCc1sc2c(C)ccc(C)c2c1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is GMLOTEVBVMKCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-10-7-8-11(2)15-13(10)14(16(3,4)5)12(18-15)9-17-6/h7-8,17H,9H2,1-6H3.
What are the key properties of 1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 261.43 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114377780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).