N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine

C20H25N3OS — CID 121429654

IUPACN-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine
SMILESCN(CCOC(c1cccs1)c1ccnn1C)CCc1ccccc1
InChIInChI=1S/C20H25N3OS/c1-22(13-11-17-7-4-3-5-8-17)14-15-24-20(19-9-6-16-25-19)18-10-12-21-23(18)2/h3-10,12,16,20H,11,13-15H2,1-2H3
InChIKeyARBAPPVYDNMDAG-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.76
Rot. Bonds9

About N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine

N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine (PubChem CID 121429654) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine
PubChem CID121429654
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine
SMILESCN(CCOC(c1cccs1)c1ccnn1C)CCc1ccccc1
InChIInChI=1S/C20H25N3OS/c1-22(13-11-17-7-4-3-5-8-17)14-15-24-20(19-9-6-16-25-19)18-10-12-21-23(18)2/h3-10,12,16,20H,11,13-15H2,1-2H3
InChIKeyARBAPPVYDNMDAG-UHFFFAOYSA-N
XLogP3.76
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine?
The IUPAC name of N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine (CID 121429654) is N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine.
What is the SMILES notation for N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine?
The canonical SMILES for N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine is CN(CCOC(c1cccs1)c1ccnn1C)CCc1ccccc1.
What is the InChIKey of N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine?
The InChIKey is ARBAPPVYDNMDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-22(13-11-17-7-4-3-5-8-17)14-15-24-20(19-9-6-16-25-19)18-10-12-21-23(18)2/h3-10,12,16,20H,11,13-15H2,1-2H3.
What are the key properties of N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine?
N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine has a molecular weight of 355.51 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine is sourced from PubChem (CID 121429654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).