4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine

C13H17NS — CID 116987449

IUPAC4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine
SMILESCc1sc2ccccc2c1CCC(C)N
InChIInChI=1S/C13H17NS/c1-9(14)7-8-11-10(2)15-13-6-4-3-5-12(11)13/h3-6,9H,7-8,14H2,1-2H3
InChIKeyOSLCTFBCYSPEPM-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.49
Rot. Bonds3

About 4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine

4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine (PubChem CID 116987449) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine
PubChem CID116987449
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine
SMILESCc1sc2ccccc2c1CCC(C)N
InChIInChI=1S/C13H17NS/c1-9(14)7-8-11-10(2)15-13-6-4-3-5-12(11)13/h3-6,9H,7-8,14H2,1-2H3
InChIKeyOSLCTFBCYSPEPM-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromopropyl)-2-methyl-1-benzothiophene
CID 119084208
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine
CID 175760045
4-[2,6-di(propan-2-yl)phenyl]butan-2-amine
CID 174789364
1-[3-(pyrrolidin-1-ylmethyl)-1-benzothiophen-2-yl]propan-2-amine
CID 46785337
2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
CID 86294958
4-[1-[(2-methyl-1-benzothiophen-3-yl)methyl]azetidin-3-yl]pyridine
CID 56899231
(1S,5R,6R)-3-[(2-methyl-1-benzothiophen-3-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137345264
1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine
CID 83912556
2-methyl-3-propylbenzo[f][1]benzothiole
CID 144639190
3-propyl-1-benzothiophen-2-ol
CID 69483518
N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine?
The IUPAC name of 4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine (CID 116987449) is 4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine.
What is the SMILES notation for 4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine?
The canonical SMILES for 4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine is Cc1sc2ccccc2c1CCC(C)N.
What is the InChIKey of 4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine?
The InChIKey is OSLCTFBCYSPEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-9(14)7-8-11-10(2)15-13-6-4-3-5-12(11)13/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine?
4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-benzothiophen-3-yl)butan-2-amine is sourced from PubChem (CID 116987449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).