N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine

C18H25NS — CID 79802613

IUPACN-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCNC(c1cscc1C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H25NS/c1-10-8-20-9-16(10)18(19-7)17-14(5)12(3)11(2)13(4)15(17)6/h8-9,18-19H,1-7H3
InChIKeyRXAKOCJGPKAUEN-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.91
Rot. Bonds3

About N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine

N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine (PubChem CID 79802613) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
PubChem CID79802613
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCNC(c1cscc1C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H25NS/c1-10-8-20-9-16(10)18(19-7)17-14(5)12(3)11(2)13(4)15(17)6/h8-9,18-19H,1-7H3
InChIKeyRXAKOCJGPKAUEN-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)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

N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine
CID 79802990
3-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]-4-methylthiophene
CID 79808949
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 107513662
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802800
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 102827434
1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802169
N-methyl-1-(4-methylthiophen-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 114688675
N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708387
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114745874
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114658402
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 80644377
1-cycloheptyl-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 82932611

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine?
The IUPAC name of N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine (CID 79802613) is N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine is CNC(c1cscc1C)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine?
The InChIKey is RXAKOCJGPKAUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-10-8-20-9-16(10)18(19-7)17-14(5)12(3)11(2)13(4)15(17)6/h8-9,18-19H,1-7H3.
What are the key properties of N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine?
N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine has a molecular weight of 287.47 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine is sourced from PubChem (CID 79802613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).