1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine

C18H25NO2S — CID 10829461

IUPAC1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine
SMILESCCC(COCc1cccc(OC)c1)(c1cccs1)N(C)C
InChIInChI=1S/C18H25NO2S/c1-5-18(19(2)3,17-10-7-11-22-17)14-21-13-15-8-6-9-16(12-15)20-4/h6-12H,5,13-14H2,1-4H3
InChIKeyATZMHISPZUQITD-UHFFFAOYSA-N
MW319.47 g/mol
LogP4.14
Rot. Bonds8

About 1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine

1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine (PubChem CID 10829461) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine
PubChem CID10829461
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine
SMILESCCC(COCc1cccc(OC)c1)(c1cccs1)N(C)C
InChIInChI=1S/C18H25NO2S/c1-5-18(19(2)3,17-10-7-11-22-17)14-21-13-15-8-6-9-16(12-15)20-4/h6-12H,5,13-14H2,1-4H3
InChIKeyATZMHISPZUQITD-UHFFFAOYSA-N
XLogP4.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine (CID 10829461) is 1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine is CCC(COCc1cccc(OC)c1)(c1cccs1)N(C)C.
What is the InChIKey of 1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine?
The InChIKey is ATZMHISPZUQITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-5-18(19(2)3,17-10-7-11-22-17)14-21-13-15-8-6-9-16(12-15)20-4/h6-12H,5,13-14H2,1-4H3.
What are the key properties of 1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine?
1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine has a molecular weight of 319.47 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 10829461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).