1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine

C17H24N2O2 — CID 79108388

IUPAC1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(CCOc2ccccc2OC)c1
InChIInChI=1S/C17H24N2O2/c1-3-6-15(18)14-9-10-19(13-14)11-12-21-17-8-5-4-7-16(17)20-2/h4-5,7-10,13,15H,3,6,11-12,18H2,1-2H3
InChIKeyYCLXHJDQUBGAQD-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.38
Rot. Bonds8

About 1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine

1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine (PubChem CID 79108388) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine
PubChem CID79108388
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(CCOc2ccccc2OC)c1
InChIInChI=1S/C17H24N2O2/c1-3-6-15(18)14-9-10-19(13-14)11-12-21-17-8-5-4-7-16(17)20-2/h4-5,7-10,13,15H,3,6,11-12,18H2,1-2H3
InChIKeyYCLXHJDQUBGAQD-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
CID 79107801
1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine
CID 79105842
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine
CID 103411315
1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106
1-[1-[2-(2-methoxyphenoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721116
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one
CID 79109199
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109512
1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 114930925
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109053
1-[2-(2-methoxyphenoxy)ethyl]-3-propylimidazol-2-one
CID 116624789
1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
CID 106229422
1-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]propan-1-amine
CID 79228556

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of 1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine (CID 79108388) is 1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine is CCCC(N)c1ccn(CCOc2ccccc2OC)c1.
What is the InChIKey of 1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is YCLXHJDQUBGAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-6-15(18)14-9-10-19(13-14)11-12-21-17-8-5-4-7-16(17)20-2/h4-5,7-10,13,15H,3,6,11-12,18H2,1-2H3.
What are the key properties of 1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine?
1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79108388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).