(2R)-1-(4-methylthiophen-2-yl)propan-2-amine

C8H13NS — CID 18656689

IUPAC(2R)-1-(4-methylthiophen-2-yl)propan-2-amine
SMILESCc1csc(C[C@@H](C)N)c1
InChIInChI=1S/C8H13NS/c1-6-3-8(10-5-6)4-7(2)9/h3,5,7H,4,9H2,1-2H3/t7-/m1/s1
InChIKeyDITPQAYICZTABK-SSDOTTSWSA-N
MW155.27 g/mol
LogP1.95
Rot. Bonds2

About (2R)-1-(4-methylthiophen-2-yl)propan-2-amine

(2R)-1-(4-methylthiophen-2-yl)propan-2-amine (PubChem CID 18656689) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (2R)-1-(4-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methylthiophen-2-yl)propan-2-amine
PubChem CID18656689
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(2R)-1-(4-methylthiophen-2-yl)propan-2-amine
SMILESCc1csc(C[C@@H](C)N)c1
InChIInChI=1S/C8H13NS/c1-6-3-8(10-5-6)4-7(2)9/h3,5,7H,4,9H2,1-2H3/t7-/m1/s1
InChIKeyDITPQAYICZTABK-SSDOTTSWSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of (2R)-1-(4-methylthiophen-2-yl)propan-2-amine (CID 18656689) is (2R)-1-(4-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(4-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(4-methylthiophen-2-yl)propan-2-amine is Cc1csc(C[C@@H](C)N)c1.
What is the InChIKey of (2R)-1-(4-methylthiophen-2-yl)propan-2-amine?
The InChIKey is DITPQAYICZTABK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NS/c1-6-3-8(10-5-6)4-7(2)9/h3,5,7H,4,9H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-(4-methylthiophen-2-yl)propan-2-amine?
(2R)-1-(4-methylthiophen-2-yl)propan-2-amine has a molecular weight of 155.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 18656689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).