N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine

C18H21NS — CID 104591357

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine
SMILESCC(CNCC1CSc2ccccc21)c1ccccc1
InChIInChI=1S/C18H21NS/c1-14(15-7-3-2-4-8-15)11-19-12-16-13-20-18-10-6-5-9-17(16)18/h2-10,14,16,19H,11-13H2,1H3
InChIKeyMUSBOVDMIFNWNZ-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.27
Rot. Bonds5

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine (PubChem CID 104591357) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine
PubChem CID104591357
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine
SMILESCC(CNCC1CSc2ccccc21)c1ccccc1
InChIInChI=1S/C18H21NS/c1-14(15-7-3-2-4-8-15)11-19-12-16-13-20-18-10-6-5-9-17(16)18/h2-10,14,16,19H,11-13H2,1H3
InChIKeyMUSBOVDMIFNWNZ-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine (CID 104591357) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine is CC(CNCC1CSc2ccccc21)c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine?
The InChIKey is MUSBOVDMIFNWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-14(15-7-3-2-4-8-15)11-19-12-16-13-20-18-10-6-5-9-17(16)18/h2-10,14,16,19H,11-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 104591357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).