[4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine

C13H15NS — CID 105409183

IUPAC[4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine
SMILESCc1ccc(CN)cc1-c1sccc1C
InChIInChI=1S/C13H15NS/c1-9-3-4-11(8-14)7-12(9)13-10(2)5-6-15-13/h3-7H,8,14H2,1-2H3
InChIKeyUKHVODSKZSJTBJ-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.49
Rot. Bonds2

About [4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine

[4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine (PubChem CID 105409183) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is [4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine
PubChem CID105409183
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name[4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine
SMILESCc1ccc(CN)cc1-c1sccc1C
InChIInChI=1S/C13H15NS/c1-9-3-4-11(8-14)7-12(9)13-10(2)5-6-15-13/h3-7H,8,14H2,1-2H3
InChIKeyUKHVODSKZSJTBJ-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004485
[5-(3-methylthiophen-2-yl)furan-3-yl]methanamine
CID 130643799
4-[5-(aminomethyl)-2-methylphenyl]phenol
CID 82508624
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine
CID 79991631
3-methyl-4-(3-methylthiophen-2-yl)aniline
CID 78973947
[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methanamine
CID 105410096
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736
[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 66479818
[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61282401
(3-tert-butyl-4-methylphenyl)methanamine
CID 59108911
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 66479645

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine?
The IUPAC name of [4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine (CID 105409183) is [4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine?
The canonical SMILES for [4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine is Cc1ccc(CN)cc1-c1sccc1C.
What is the InChIKey of [4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine?
The InChIKey is UKHVODSKZSJTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-9-3-4-11(8-14)7-12(9)13-10(2)5-6-15-13/h3-7H,8,14H2,1-2H3.
What are the key properties of [4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine?
[4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine has a molecular weight of 217.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine is sourced from PubChem (CID 105409183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).