N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine

C17H19NS — CID 81333231

IUPACN-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCC(NC1CSc2ccccc21)c1ccccc1
InChIInChI=1S/C17H19NS/c1-2-15(13-8-4-3-5-9-13)18-16-12-19-17-11-7-6-10-14(16)17/h3-11,15-16,18H,2,12H2,1H3
InChIKeyNBXMECTXNWKRMD-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.57
Rot. Bonds4

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

N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 81333231) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID81333231
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC NameN-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCC(NC1CSc2ccccc21)c1ccccc1
InChIInChI=1S/C17H19NS/c1-2-15(13-8-4-3-5-9-13)18-16-12-19-17-11-7-6-10-14(16)17/h3-11,15-16,18H,2,12H2,1H3
InChIKeyNBXMECTXNWKRMD-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine (CID 81333231) is N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine is CCC(NC1CSc2ccccc21)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is NBXMECTXNWKRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-2-15(13-8-4-3-5-9-13)18-16-12-19-17-11-7-6-10-14(16)17/h3-11,15-16,18H,2,12H2,1H3.
What are the key properties of N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine?
N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 269.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 81333231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).