N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine

C14H17NOS — CID 102972146

IUPACN-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
SMILESCOc1ccc2c(C)c(CNC3CC3)sc2c1
InChIInChI=1S/C14H17NOS/c1-9-12-6-5-11(16-2)7-13(12)17-14(9)8-15-10-3-4-10/h5-7,10,15H,3-4,8H2,1-2H3
InChIKeyTZKZFAODGDCCCK-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.47
Rot. Bonds4

About N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine

N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine (PubChem CID 102972146) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
PubChem CID102972146
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
SMILESCOc1ccc2c(C)c(CNC3CC3)sc2c1
InChIInChI=1S/C14H17NOS/c1-9-12-6-5-11(16-2)7-13(12)17-14(9)8-15-10-3-4-10/h5-7,10,15H,3-4,8H2,1-2H3
InChIKeyTZKZFAODGDCCCK-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972150
N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972330
N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 81048147
N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine
CID 115480588
N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427321
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80722854
1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine
CID 102972133
2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol
CID 131031026
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
3-cycloheptyl-6-methoxy-2-methyl-1-benzothiophene
CID 69482888

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine (CID 102972146) is N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine is COc1ccc2c(C)c(CNC3CC3)sc2c1.
What is the InChIKey of N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is TZKZFAODGDCCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-9-12-6-5-11(16-2)7-13(12)17-14(9)8-15-10-3-4-10/h5-7,10,15H,3-4,8H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 247.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 102972146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).