N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine

C15H21NS — CID 79229094

IUPACN-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)CC1Cc2ccccc2S1
InChIInChI=1S/C15H21NS/c1-11(10-16-13-6-7-13)8-14-9-12-4-2-3-5-15(12)17-14/h2-5,11,13-14,16H,6-10H2,1H3
InChIKeyNLLSAOKPPDZSNI-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.48
Rot. Bonds5

About N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine

N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine (PubChem CID 79229094) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine
PubChem CID79229094
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)CC1Cc2ccccc2S1
InChIInChI=1S/C15H21NS/c1-11(10-16-13-6-7-13)8-14-9-12-4-2-3-5-15(12)17-14/h2-5,11,13-14,16H,6-10H2,1H3
InChIKeyNLLSAOKPPDZSNI-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylpentyl)-2,3-dihydro-1-benzothiophene
CID 79224341
4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine
CID 81016217
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine
CID 79223273
2-(3-bromo-2-methylbutyl)-2,3-dihydro-1-benzothiophene
CID 79228756
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N,4-dimethylpentan-1-amine
CID 79227512
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine
CID 79215615
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine
CID 79228415
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine
CID 79228408
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81027517
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine
CID 79224568
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine (CID 79229094) is N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)CC1Cc2ccccc2S1.
What is the InChIKey of N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine?
The InChIKey is NLLSAOKPPDZSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-11(10-16-13-6-7-13)8-14-9-12-4-2-3-5-15(12)17-14/h2-5,11,13-14,16H,6-10H2,1H3.
What are the key properties of N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine?
N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine has a molecular weight of 247.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 79229094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).