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

C13H23NOS — CID 79196780

IUPAC2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C)s1)C(C)(C)OC
InChIInChI=1S/C13H23NOS/c1-6-9-14-12(13(3,4)15-5)11-8-7-10(2)16-11/h7-8,12,14H,6,9H2,1-5H3
InChIKeyXWMRYIIWZGQKGT-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.52
Rot. Bonds6

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

2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine (PubChem CID 79196780) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
PubChem CID79196780
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C)s1)C(C)(C)OC
InChIInChI=1S/C13H23NOS/c1-6-9-14-12(13(3,4)15-5)11-8-7-10(2)16-11/h7-8,12,14H,6,9H2,1-5H3
InChIKeyXWMRYIIWZGQKGT-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 43494143
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 116758104
2-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 79198511
N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207354
1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79196771
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79705438
N-[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63504364
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 61347758
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
2-methoxy-2-methyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79196999

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine (CID 79196780) is 2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine is CCCNC(c1ccc(C)s1)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine?
The InChIKey is XWMRYIIWZGQKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-6-9-14-12(13(3,4)15-5)11-8-7-10(2)16-11/h7-8,12,14H,6,9H2,1-5H3.
What are the key properties of 2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine?
2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.52, 6 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-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79196780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).