N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine

C15H19NOS — CID 4868415

IUPACN-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc(CNC(C)Cc2cccs2)cc1
InChIInChI=1S/C15H19NOS/c1-12(10-15-4-3-9-18-15)16-11-13-5-7-14(17-2)8-6-13/h3-9,12,16H,10-11H2,1-2H3
InChIKeyXHWZLEVFEBMEDG-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.48
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine

N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 4868415) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID4868415
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc(CNC(C)Cc2cccs2)cc1
InChIInChI=1S/C15H19NOS/c1-12(10-15-4-3-9-18-15)16-11-13-5-7-14(17-2)8-6-13/h3-9,12,16H,10-11H2,1-2H3
InChIKeyXHWZLEVFEBMEDG-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 4868415) is N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine is COc1ccc(CNC(C)Cc2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is XHWZLEVFEBMEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12(10-15-4-3-9-18-15)16-11-13-5-7-14(17-2)8-6-13/h3-9,12,16H,10-11H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 4868415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).