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

C15H23NS — CID 79228408

IUPAC3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine
SMILESCCC(CC1Cc2ccccc2S1)C(C)NC
InChIInChI=1S/C15H23NS/c1-4-12(11(2)16-3)9-14-10-13-7-5-6-8-15(13)17-14/h5-8,11-12,14,16H,4,9-10H2,1-3H3
InChIKeyNOMWXRFSEYRBGT-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.73
Rot. Bonds5

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

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine (PubChem CID 79228408) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine
PubChem CID79228408
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine
SMILESCCC(CC1Cc2ccccc2S1)C(C)NC
InChIInChI=1S/C15H23NS/c1-4-12(11(2)16-3)9-14-10-13-7-5-6-8-15(13)17-14/h5-8,11-12,14,16H,4,9-10H2,1-3H3
InChIKeyNOMWXRFSEYRBGT-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine (CID 79228408) is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine is CCC(CC1Cc2ccccc2S1)C(C)NC.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine?
The InChIKey is NOMWXRFSEYRBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-4-12(11(2)16-3)9-14-10-13-7-5-6-8-15(13)17-14/h5-8,11-12,14,16H,4,9-10H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine?
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine is sourced from PubChem (CID 79228408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).