[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine

C14H17NS — CID 114996811

IUPAC[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine
SMILESCc1ccc(C)c(-c2sc(CN)cc2C)c1
InChIInChI=1S/C14H17NS/c1-9-4-5-10(2)13(6-9)14-11(3)7-12(8-15)16-14/h4-7H,8,15H2,1-3H3
InChIKeyFQFSVOGLGGKZPS-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.80
Rot. Bonds2

About [5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine

[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine (PubChem CID 114996811) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is [5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine
PubChem CID114996811
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine
SMILESCc1ccc(C)c(-c2sc(CN)cc2C)c1
InChIInChI=1S/C14H17NS/c1-9-4-5-10(2)13(6-9)14-11(3)7-12(8-15)16-14/h4-7H,8,15H2,1-3H3
InChIKeyFQFSVOGLGGKZPS-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 114997556
[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine
CID 115002125
[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine
CID 28808393
[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine
CID 114997571
[5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine
CID 114996813
[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine
CID 82766883
5-(2,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 14091156
[5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82078799
4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 842777
[5-(2,5-dimethylphenyl)thiophen-2-yl]methanol
CID 82079376
2-(aminomethyl)-4-(2,5-dimethylphenyl)-1,3-thiazole-5-carbonitrile
CID 82478203
[5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine
CID 66159326

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine?
The IUPAC name of [5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine (CID 114996811) is [5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine is Cc1ccc(C)c(-c2sc(CN)cc2C)c1.
What is the InChIKey of [5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine?
The InChIKey is FQFSVOGLGGKZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-9-4-5-10(2)13(6-9)14-11(3)7-12(8-15)16-14/h4-7H,8,15H2,1-3H3.
What are the key properties of [5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine?
[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine has a molecular weight of 231.36 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 114996811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).