1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine

C14H21NS — CID 105126981

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)C1CSc2ccccc21
InChIInChI=1S/C14H21NS/c1-10(2)7-8-13(15)12-9-16-14-6-4-3-5-11(12)14/h3-6,10,12-13H,7-9,15H2,1-2H3
InChIKeyXFHYDWGOGDSXTQ-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.64
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine

1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine (PubChem CID 105126981) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
PubChem CID105126981
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)C1CSc2ccccc21
InChIInChI=1S/C14H21NS/c1-10(2)7-8-13(15)12-9-16-14-6-4-3-5-11(12)14/h3-6,10,12-13H,7-9,15H2,1-2H3
InChIKeyXFHYDWGOGDSXTQ-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo[b]thiophene-3-ethanamine
CID 26743
(S)-2-amino-1-(4-butylthiophenyl)-propane
CID 23661626
1-(4-Methylsulfanylphenyl)butan-2-amine
CID 43565977
2-Amino-1-(4-ethylthiophenyl)propane
CID 44399737
(S)-2-amino-1-(4-ethylthiophenyl)-propane
CID 44424447
(S)-2-amino-1-(4-propylthiophenyl)-propane
CID 44424448
N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine
CID 15657775
Benzo(b)thiophene-3-ethylamine, hydrochloride
CID 209554
2-Amino-1-(4-ethylthiophenyl)butane
CID 44613455
2-(4-Isobutylsulfanyl-phenyl)-1-methyl-ethylamine
CID 44399680
1-(4-Tert-butylsulfanylphenyl)propan-2-amine
CID 44613327
(2,3-Dihydro-1-benzothiophen-3-yl)methanamine
CID 21834230

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine (CID 105126981) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine is CC(C)CCC(N)C1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine?
The InChIKey is XFHYDWGOGDSXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10(2)7-8-13(15)12-9-16-14-6-4-3-5-11(12)14/h3-6,10,12-13H,7-9,15H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 105126981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).