N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine

C18H21NS — CID 114749017

IUPACN-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine
SMILESc1ccc(C2CCc3c(CNC4CC4)csc3C2)cc1
InChIInChI=1S/C18H21NS/c1-2-4-13(5-3-1)14-6-9-17-15(11-19-16-7-8-16)12-20-18(17)10-14/h1-5,12,14,16,19H,6-11H2
InChIKeyQPJOSZMHKGEWAE-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.27
Rot. Bonds4

About N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine

N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine (PubChem CID 114749017) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine
PubChem CID114749017
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine
SMILESc1ccc(C2CCc3c(CNC4CC4)csc3C2)cc1
InChIInChI=1S/C18H21NS/c1-2-4-13(5-3-1)14-6-9-17-15(11-19-16-7-8-16)12-20-18(17)10-14/h1-5,12,14,16,19H,6-11H2
InChIKeyQPJOSZMHKGEWAE-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine 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 N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine (CID 114749017) is N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine is c1ccc(C2CCc3c(CNC4CC4)csc3C2)cc1.
What is the InChIKey of N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine?
The InChIKey is QPJOSZMHKGEWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-2-4-13(5-3-1)14-6-9-17-15(11-19-16-7-8-16)12-20-18(17)10-14/h1-5,12,14,16,19H,6-11H2.
What are the key properties of N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine?
N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine has a molecular weight of 283.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114749017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).