1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

C17H23NS — CID 61473381

IUPAC1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2ccc(C)s2)c(C)c1
InChIInChI=1S/C17H23NS/c1-11-8-12(2)16(13(3)9-11)10-18-15(5)17-7-6-14(4)19-17/h6-9,15,18H,10H2,1-5H3
InChIKeyHDOXLIQVCPOXJK-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.83
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 61473381) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID61473381
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2ccc(C)s2)c(C)c1
InChIInChI=1S/C17H23NS/c1-11-8-12(2)16(13(3)9-11)10-18-15(5)17-7-6-14(4)19-17/h6-9,15,18H,10H2,1-5H3
InChIKeyHDOXLIQVCPOXJK-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine 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-[(2,6-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952884
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 106816707
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952885
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 79419831
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62539090
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 65316176
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (CID 61473381) is 1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CNC(C)c2ccc(C)s2)c(C)c1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is HDOXLIQVCPOXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-11-8-12(2)16(13(3)9-11)10-18-15(5)17-7-6-14(4)19-17/h6-9,15,18H,10H2,1-5H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 273.44 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 61473381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).