ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine

C14H19NS — CID 156737353

IUPACethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine
SMILESCC.Cc1ccc(-c2ccccc2CN)s1
InChIInChI=1S/C12H13NS.C2H6/c1-9-6-7-12(14-9)11-5-3-2-4-10(11)8-13;1-2/h2-7H,8,13H2,1H3;1-2H3
InChIKeyDTYWPLJLQXTOQG-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.21
Rot. Bonds2

About ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine

ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine (PubChem CID 156737353) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine.

Molecular Properties

Compound Nameethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine
PubChem CID156737353
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Nameethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine
SMILESCC.Cc1ccc(-c2ccccc2CN)s1
InChIInChI=1S/C12H13NS.C2H6/c1-9-6-7-12(14-9)11-5-3-2-4-10(11)8-13;1-2/h2-7H,8,13H2,1H3;1-2H3
InChIKeyDTYWPLJLQXTOQG-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine?
The IUPAC name of ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine (CID 156737353) is ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine.
What is the SMILES notation for ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine?
The canonical SMILES for ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine is CC.Cc1ccc(-c2ccccc2CN)s1.
What is the InChIKey of ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine?
The InChIKey is DTYWPLJLQXTOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS.C2H6/c1-9-6-7-12(14-9)11-5-3-2-4-10(11)8-13;1-2/h2-7H,8,13H2,1H3;1-2H3.
What are the key properties of ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine?
ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine has a molecular weight of 233.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine is sourced from PubChem (CID 156737353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).