(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine

C16H21NS — CID 43384383

IUPAC(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1ccsc1C(N)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H21NS/c1-9-6-7-18-16(9)15(17)14-12(4)10(2)8-11(3)13(14)5/h6-8,15H,17H2,1-5H3
InChIKeyMQINSPFUGZKHOB-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.34
Rot. Bonds2

About (3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine

(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 43384383) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID43384383
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1ccsc1C(N)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H21NS/c1-9-6-7-18-16(9)15(17)14-12(4)10(2)8-11(3)13(14)5/h6-8,15H,17H2,1-5H3
InChIKeyMQINSPFUGZKHOB-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464814
3-[amino-(3-methylthiophen-2-yl)methyl]aniline
CID 116936643
(3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 65279285
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464212
(3-methylthiophen-2-yl)-pyrimidin-5-ylmethanamine
CID 115827446
(3-methylthiophen-2-yl)-pyridin-2-ylmethanamine
CID 79989254
(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43626117
(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 63993046
2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine
CID 43464476
(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102950671
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of (3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine (CID 43384383) is (3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for (3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for (3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine is Cc1ccsc1C(N)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of (3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is MQINSPFUGZKHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-9-6-7-18-16(9)15(17)14-12(4)10(2)8-11(3)13(14)5/h6-8,15H,17H2,1-5H3.
What are the key properties of (3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine?
(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 259.42 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 43384383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).