1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine

C21H23NS — CID 11723616

IUPAC1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine
SMILESc1ccc(CNC2(c3cc4ccccc4s3)CCCCC2)cc1
InChIInChI=1S/C21H23NS/c1-3-9-17(10-4-1)16-22-21(13-7-2-8-14-21)20-15-18-11-5-6-12-19(18)23-20/h1,3-6,9-12,15,22H,2,7-8,13-14,16H2
InChIKeyCLNUDHUKSYPGAO-UHFFFAOYSA-N
MW321.49 g/mol
LogP5.85
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine

1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine (PubChem CID 11723616) has the molecular formula C21H23NS and a molecular weight of 321.49 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine
PubChem CID11723616
Molecular FormulaC21H23NS
Molecular Weight321.49 g/mol
Exact Mass321.16
IUPAC Name1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine
SMILESc1ccc(CNC2(c3cc4ccccc4s3)CCCCC2)cc1
InChIInChI=1S/C21H23NS/c1-3-9-17(10-4-1)16-22-21(13-7-2-8-14-21)20-15-18-11-5-6-12-19(18)23-20/h1,3-6,9-12,15,22H,2,7-8,13-14,16H2
InChIKeyCLNUDHUKSYPGAO-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.49
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine (CID 11723616) is 1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine is c1ccc(CNC2(c3cc4ccccc4s3)CCCCC2)cc1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine?
The InChIKey is CLNUDHUKSYPGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NS/c1-3-9-17(10-4-1)16-22-21(13-7-2-8-14-21)20-15-18-11-5-6-12-19(18)23-20/h1,3-6,9-12,15,22H,2,7-8,13-14,16H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine?
1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine has a molecular weight of 321.49 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-benzylcyclohexan-1-amine is sourced from PubChem (CID 11723616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).