1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine

C16H21NOS — CID 103802264

IUPAC1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
SMILESCOCCC1(CNCc2csc3ccccc23)CC1
InChIInChI=1S/C16H21NOS/c1-18-9-8-16(6-7-16)12-17-10-13-11-19-15-5-3-2-4-14(13)15/h2-5,11,17H,6-10,12H2,1H3
InChIKeyRJPYCGTXKFXRNI-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.81
Rot. Bonds7

About 1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine

1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine (PubChem CID 103802264) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
PubChem CID103802264
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
SMILESCOCCC1(CNCc2csc3ccccc23)CC1
InChIInChI=1S/C16H21NOS/c1-18-9-8-16(6-7-16)12-17-10-13-11-19-15-5-3-2-4-14(13)15/h2-5,11,17H,6-10,12H2,1H3
InChIKeyRJPYCGTXKFXRNI-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479191
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103802421
N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60705007
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
N-(1-benzothiophen-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843966
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802463
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
CID 115735920
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline
CID 114112981
1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230036
N-(1-benzothiophen-3-ylmethyl)-1-chloro-4-methoxybutan-2-amine
CID 114210220

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine (CID 103802264) is 1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine is COCCC1(CNCc2csc3ccccc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The InChIKey is RJPYCGTXKFXRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-18-9-8-16(6-7-16)12-17-10-13-11-19-15-5-3-2-4-14(13)15/h2-5,11,17H,6-10,12H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine has a molecular weight of 275.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine is sourced from PubChem (CID 103802264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).