N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine

C15H19NO2S — CID 175823189

IUPACN-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCCC(c1cccs1)N(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H19NO2S/c1-4-14(15-6-5-11-19-15)16(2)18-13-9-7-12(17-3)8-10-13/h5-11,14H,4H2,1-3H3
InChIKeyKMGYQIDLHCBOND-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.13
Rot. Bonds6

About N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine

N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 175823189) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID175823189
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCCC(c1cccs1)N(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H19NO2S/c1-4-14(15-6-5-11-19-15)16(2)18-13-9-7-12(17-3)8-10-13/h5-11,14H,4H2,1-3H3
InChIKeyKMGYQIDLHCBOND-UHFFFAOYSA-N
XLogP4.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine (CID 175823189) is N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine is CCC(c1cccs1)N(C)Oc1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is KMGYQIDLHCBOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-4-14(15-6-5-11-19-15)16(2)18-13-9-7-12(17-3)8-10-13/h5-11,14H,4H2,1-3H3.
What are the key properties of N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine?
N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 175823189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).