N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine

C17H21NOS — CID 115953954

IUPACN-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OCCc1cccs1
InChIInChI=1S/C17H21NOS/c1-13-4-2-5-14(12-18-15-7-8-15)17(13)19-10-9-16-6-3-11-20-16/h2-6,11,15,18H,7-10,12H2,1H3
InChIKeyGAFZSQYBSYGMLO-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.93
Rot. Bonds7

About N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine

N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 115953954) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID115953954
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OCCc1cccs1
InChIInChI=1S/C17H21NOS/c1-13-4-2-5-14(12-18-15-7-8-15)17(13)19-10-9-16-6-3-11-20-16/h2-6,11,15,18H,7-10,12H2,1H3
InChIKeyGAFZSQYBSYGMLO-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610024
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[(2-hept-6-enoxy-3-methylphenyl)methyl]cyclopropanamine
CID 107006293
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62485651
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953912
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 112609975
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60879896

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine (CID 115953954) is N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine is Cc1cccc(CNC2CC2)c1OCCc1cccs1.
What is the InChIKey of N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is GAFZSQYBSYGMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13-4-2-5-14(12-18-15-7-8-15)17(13)19-10-9-16-6-3-11-20-16/h2-6,11,15,18H,7-10,12H2,1H3.
What are the key properties of N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 287.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115953954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).