N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine

C15H23NS — CID 83049138

IUPACN-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCC1Sc2c(C)cc(C)cc2C1NCC
InChIInChI=1S/C15H23NS/c1-5-7-13-14(16-6-2)12-9-10(3)8-11(4)15(12)17-13/h8-9,13-14,16H,5-7H2,1-4H3
InChIKeyAULMXRWAVLYCBZ-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.23
Rot. Bonds4

About N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine

N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 83049138) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID83049138
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCC1Sc2c(C)cc(C)cc2C1NCC
InChIInChI=1S/C15H23NS/c1-5-7-13-14(16-6-2)12-9-10(3)8-11(4)15(12)17-13/h8-9,13-14,16H,5-7H2,1-4H3
InChIKeyAULMXRWAVLYCBZ-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine (CID 83049138) is N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine is CCCC1Sc2c(C)cc(C)cc2C1NCC.
What is the InChIKey of N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is AULMXRWAVLYCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-5-7-13-14(16-6-2)12-9-10(3)8-11(4)15(12)17-13/h8-9,13-14,16H,5-7H2,1-4H3.
What are the key properties of N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 249.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 83049138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).