3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine

C18H26N2O2 — CID 170867032

IUPAC3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCOc1ccccc1OCCn1cccc1CCCN(C)C
InChIInChI=1S/C18H26N2O2/c1-19(2)12-6-8-16-9-7-13-20(16)14-15-22-18-11-5-4-10-17(18)21-3/h4-5,7,9-11,13H,6,8,12,14-15H2,1-3H3
InChIKeyXKBZDXRWAFNGSA-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.07
Rot. Bonds9

About 3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine

3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine (PubChem CID 170867032) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine
PubChem CID170867032
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCOc1ccccc1OCCn1cccc1CCCN(C)C
InChIInChI=1S/C18H26N2O2/c1-19(2)12-6-8-16-9-7-13-20(16)14-15-22-18-11-5-4-10-17(18)21-3/h4-5,7,9-11,13H,6,8,12,14-15H2,1-3H3
InChIKeyXKBZDXRWAFNGSA-UHFFFAOYSA-N
XLogP3.07
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine (CID 170867032) is 3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine is COc1ccccc1OCCn1cccc1CCCN(C)C.
What is the InChIKey of 3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is XKBZDXRWAFNGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19(2)12-6-8-16-9-7-13-20(16)14-15-22-18-11-5-4-10-17(18)21-3/h4-5,7,9-11,13H,6,8,12,14-15H2,1-3H3.
What are the key properties of 3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine?
3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 302.42 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170867032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).