N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine

C17H23NS — CID 54420637

IUPACN-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine
SMILESCc1ccc(CN(C)c2sc(C)c(C)c2C)cc1C
InChIInChI=1S/C17H23NS/c1-11-7-8-16(9-12(11)2)10-18(6)17-14(4)13(3)15(5)19-17/h7-9H,10H2,1-6H3
InChIKeyCRVIUNCAPBPFCR-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.93
Rot. Bonds3

About N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine

N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine (PubChem CID 54420637) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine
PubChem CID54420637
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine
SMILESCc1ccc(CN(C)c2sc(C)c(C)c2C)cc1C
InChIInChI=1S/C17H23NS/c1-11-7-8-16(9-12(11)2)10-18(6)17-14(4)13(3)15(5)19-17/h7-9H,10H2,1-6H3
InChIKeyCRVIUNCAPBPFCR-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Dimethylamino-3-phenylthio-phene
CID 11171706
Diethyl-(4-phenyl-thiophen-2-yl)-amine
CID 10609575
1-(4-Phenylthiophen-2-yl)piperidine
CID 10705408
4-[[benzyl(methyl)amino]methyl]-N-[(2,6-difluorophenyl)methyl]-N,3-dimethyl-5-(4-methylphenyl)thiophen-2-amine
CID 20691998
4-(bromomethyl)-N-[(2,6-difluorophenyl)methyl]-N,3-dimethyl-5-(4-methylphenyl)thiophen-2-amine
CID 20691999
N-[(2,6-difluorophenyl)methyl]-N,3,4-trimethyl-5-(4-methylphenyl)thiophen-2-amine
CID 20692009
N',N'-diethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethane-1,2-diamine
CID 69158327
2-(3,5-dimethylthiophen-2-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 168966933
N-benzyl-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 13708110
Piperidine, 1-(4,5-dihydronaphtho[1,2-c]thien-3-yl)-
CID 10659615
1-(5-Phenyl-2-thienyl)piperidine
CID 13033532
2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline
CID 18338329

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine (CID 54420637) is N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine is Cc1ccc(CN(C)c2sc(C)c(C)c2C)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine?
The InChIKey is CRVIUNCAPBPFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-11-7-8-16(9-12(11)2)10-18(6)17-14(4)13(3)15(5)19-17/h7-9H,10H2,1-6H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine?
N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine has a molecular weight of 273.44 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-N,3,4,5-tetramethylthiophen-2-amine is sourced from PubChem (CID 54420637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).