2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine

C12H21NOS — CID 79616237

IUPAC2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1csc(C)c1)C(C)OC
InChIInChI=1S/C12H21NOS/c1-5-6-13-12(10(3)14-4)11-7-9(2)15-8-11/h7-8,10,12-13H,5-6H2,1-4H3
InChIKeyUAUIACFNUMMENY-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.13
Rot. Bonds6

About 2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine

2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine (PubChem CID 79616237) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
PubChem CID79616237
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1csc(C)c1)C(C)OC
InChIInChI=1S/C12H21NOS/c1-5-6-13-12(10(3)14-4)11-7-9(2)15-8-11/h7-8,10,12-13H,5-6H2,1-4H3
InChIKeyUAUIACFNUMMENY-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991213
1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine
CID 79616365
N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116724693
2-methoxy-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79616716
2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine
CID 79068762
N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116770453
2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 79492752
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991160
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
CID 79617446
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
2-methoxy-1-(4-propoxyphenyl)-N-propylpropan-1-amine
CID 79617326

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine (CID 79616237) is 2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine is CCCNC(c1csc(C)c1)C(C)OC.
What is the InChIKey of 2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The InChIKey is UAUIACFNUMMENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-5-6-13-12(10(3)14-4)11-7-9(2)15-8-11/h7-8,10,12-13H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79616237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).