2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine

C10H17NOS — CID 79198358

IUPAC2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCOC(C)(C)C(N)c1csc(C)c1
InChIInChI=1S/C10H17NOS/c1-7-5-8(6-13-7)9(11)10(2,3)12-4/h5-6,9H,11H2,1-4H3
InChIKeyWMMSBDJXGCVCPF-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.48
Rot. Bonds3

About 2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine

2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine (PubChem CID 79198358) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
PubChem CID79198358
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCOC(C)(C)C(N)c1csc(C)c1
InChIInChI=1S/C10H17NOS/c1-7-5-8(6-13-7)9(11)10(2,3)12-4/h5-6,9H,11H2,1-4H3
InChIKeyWMMSBDJXGCVCPF-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine
CID 130665450
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 104991379
(1R)-2,2,2-trifluoro-1-(5-methylthiophen-3-yl)ethanamine
CID 55274092
2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116759557
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056215
2-methoxy-2-methyl-1-phenylpropan-1-amine
CID 76606196
2-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 79197654
1-(5-methylthiophen-3-yl)ethane-1,2-diamine
CID 55294445
2-methyl-1-(5-methylthiophen-3-yl)propane-1,2-diol
CID 103449100
(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
CID 55293890
(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine
CID 65104269
(2-methyl-1,3-thiazol-4-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155571

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine (CID 79198358) is 2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine is COC(C)(C)C(N)c1csc(C)c1.
What is the InChIKey of 2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine?
The InChIKey is WMMSBDJXGCVCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7-5-8(6-13-7)9(11)10(2,3)12-4/h5-6,9H,11H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine?
2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine is sourced from PubChem (CID 79198358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).