[5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine

C14H17NS — CID 114996813

IUPAC[5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine
SMILESCCc1cccc(-c2sc(CN)cc2C)c1
InChIInChI=1S/C14H17NS/c1-3-11-5-4-6-12(8-11)14-10(2)7-13(9-15)16-14/h4-8H,3,9,15H2,1-2H3
InChIKeyCQHAFXAGNCPJAX-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.74
Rot. Bonds3

About [5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine

[5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine (PubChem CID 114996813) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is [5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine
PubChem CID114996813
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name[5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine
SMILESCCc1cccc(-c2sc(CN)cc2C)c1
InChIInChI=1S/C14H17NS/c1-3-11-5-4-6-12(8-11)14-10(2)7-13(9-15)16-14/h4-8H,3,9,15H2,1-2H3
InChIKeyCQHAFXAGNCPJAX-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine
CID 114997571
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine
CID 115002125
[4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729897
[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine
CID 114996811
5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine
CID 84670790
1-ethyl-3-phenylbenzene;propane
CID 145466525
2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole
CID 84689498
CID 143725407
CID 143725407
4-(3-ethylphenyl)-1,2-oxazol-5-amine
CID 117281180
2-chloro-4-(3-ethylphenyl)aniline
CID 107607723
4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane
CID 142939514

Frequently Asked Questions

What is the IUPAC name of [5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine?
The IUPAC name of [5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine (CID 114996813) is [5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine is CCc1cccc(-c2sc(CN)cc2C)c1.
What is the InChIKey of [5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine?
The InChIKey is CQHAFXAGNCPJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-11-5-4-6-12(8-11)14-10(2)7-13(9-15)16-14/h4-8H,3,9,15H2,1-2H3.
What are the key properties of [5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine?
[5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine has a molecular weight of 231.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 114996813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).