1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine

C13H23NOS — CID 115854337

IUPAC1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(OC)cs1)C(C)(C)C
InChIInChI=1S/C13H23NOS/c1-6-7-14-12(13(2,3)4)11-8-10(15-5)9-16-11/h8-9,12,14H,6-7H2,1-5H3
InChIKeyWDGASAHQYOKLAO-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.84
Rot. Bonds5

About 1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine

1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 115854337) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID115854337
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(OC)cs1)C(C)(C)C
InChIInChI=1S/C13H23NOS/c1-6-7-14-12(13(2,3)4)11-8-10(15-5)9-16-11/h8-9,12,14H,6-7H2,1-5H3
InChIKeyWDGASAHQYOKLAO-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine with MolForge

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Related Compounds

4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 105054949
1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859366
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105044507
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127179
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122534
N-[(4-bromo-2,5-difluorophenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81122126
N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115816052
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115841074
N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81121964
N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105026473
N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81128007

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine (CID 115854337) is 1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(c1cc(OC)cs1)C(C)(C)C.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is WDGASAHQYOKLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-6-7-14-12(13(2,3)4)11-8-10(15-5)9-16-11/h8-9,12,14H,6-7H2,1-5H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine?
1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 115854337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).