(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine

C22H23NS — CID 70034000

IUPAC(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)C1c2ccccc2CCC1Cc1ccccc1
InChIInChI=1S/C22H23NS/c23-22(20-11-6-14-24-20)21-18(15-16-7-2-1-3-8-16)13-12-17-9-4-5-10-19(17)21/h1-11,14,18,21-22H,12-13,15,23H2
InChIKeyABGBIMFNEYNOPR-UHFFFAOYSA-N
MW333.50 g/mol
LogP5.34
Rot. Bonds4

About (2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine

(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine (PubChem CID 70034000) has the molecular formula C22H23NS and a molecular weight of 333.50 g/mol. Its IUPAC name is (2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine
PubChem CID70034000
Molecular FormulaC22H23NS
Molecular Weight333.50 g/mol
Exact Mass333.16
IUPAC Name(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)C1c2ccccc2CCC1Cc1ccccc1
InChIInChI=1S/C22H23NS/c23-22(20-11-6-14-24-20)21-18(15-16-7-2-1-3-8-16)13-12-17-9-4-5-10-19(17)21/h1-11,14,18,21-22H,12-13,15,23H2
InChIKeyABGBIMFNEYNOPR-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine (CID 70034000) is (2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine is NC(c1cccs1)C1c2ccccc2CCC1Cc1ccccc1.
What is the InChIKey of (2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine?
The InChIKey is ABGBIMFNEYNOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NS/c23-22(20-11-6-14-24-20)21-18(15-16-7-2-1-3-8-16)13-12-17-9-4-5-10-19(17)21/h1-11,14,18,21-22H,12-13,15,23H2.
What are the key properties of (2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine?
(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine has a molecular weight of 333.50 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 70034000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).