[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine

C14H18N2O2 — CID 66408847

IUPAC[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine
SMILESCOc1ccc(OCCn2ccc(CN)c2)cc1
InChIInChI=1S/C14H18N2O2/c1-17-13-2-4-14(5-3-13)18-9-8-16-7-6-12(10-15)11-16/h2-7,11H,8-10,15H2,1H3
InChIKeyGTKFARGVOIRRES-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.03
Rot. Bonds6

About [1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine

[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine (PubChem CID 66408847) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine
PubChem CID66408847
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine
SMILESCOc1ccc(OCCn2ccc(CN)c2)cc1
InChIInChI=1S/C14H18N2O2/c1-17-13-2-4-14(5-3-13)18-9-8-16-7-6-12(10-15)11-16/h2-7,11H,8-10,15H2,1H3
InChIKeyGTKFARGVOIRRES-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine?
The IUPAC name of [1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine (CID 66408847) is [1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine?
The canonical SMILES for [1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine is COc1ccc(OCCn2ccc(CN)c2)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine?
The InChIKey is GTKFARGVOIRRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-13-2-4-14(5-3-13)18-9-8-16-7-6-12(10-15)11-16/h2-7,11H,8-10,15H2,1H3.
What are the key properties of [1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine?
[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 66408847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).