(R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine

C16H15NOS — CID 171232570

IUPAC(R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
SMILESCOc1ccc2ccccc2c1[C@@H](N)c1cccs1
InChIInChI=1S/C16H15NOS/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)16(17)14-7-4-10-19-14/h2-10,16H,17H2,1H3/t16-/m0/s1
InChIKeyJFOHKJSQPVCFHM-INIZCTEOSA-N
MW269.37 g/mol
LogP3.96
Rot. Bonds3

About (R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine

(R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine (PubChem CID 171232570) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
PubChem CID171232570
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
SMILESCOc1ccc2ccccc2c1[C@@H](N)c1cccs1
InChIInChI=1S/C16H15NOS/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)16(17)14-7-4-10-19-14/h2-10,16H,17H2,1H3/t16-/m0/s1
InChIKeyJFOHKJSQPVCFHM-INIZCTEOSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine (CID 171232570) is (R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine is COc1ccc2ccccc2c1[C@@H](N)c1cccs1.
What is the InChIKey of (R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine?
The InChIKey is JFOHKJSQPVCFHM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15NOS/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)16(17)14-7-4-10-19-14/h2-10,16H,17H2,1H3/t16-/m0/s1.
What are the key properties of (R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine?
(R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 171232570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).