1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine

C15H20N2O — CID 79105842

IUPAC1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(CCOc2ccccc2)c1
InChIInChI=1S/C15H20N2O/c1-2-15(16)13-8-9-17(12-13)10-11-18-14-6-4-3-5-7-14/h3-9,12,15H,2,10-11,16H2,1H3
InChIKeyBDLUQRJCMGTDND-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.98
Rot. Bonds6

About 1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine

1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79105842) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79105842
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(CCOc2ccccc2)c1
InChIInChI=1S/C15H20N2O/c1-2-15(16)13-8-9-17(12-13)10-11-18-14-6-4-3-5-7-14/h3-9,12,15H,2,10-11,16H2,1H3
InChIKeyBDLUQRJCMGTDND-UHFFFAOYSA-N
XLogP2.98
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]propan-1-amine
CID 79228556
N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine
CID 79109107
1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine
CID 79105663
1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108388
1-(1-octylpyrrol-3-yl)propan-1-amine
CID 79105838
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine
CID 79104699
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79096865
4-[3-(1-aminopropyl)pyrrol-1-yl]-2-methylbutan-2-ol
CID 79355721
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104946
1-[1-(3-methylsulfonylpropyl)pyrrol-3-yl]propan-1-amine
CID 79105038
1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
CID 106721144
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of 1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine (CID 79105842) is 1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine is CCC(N)c1ccn(CCOc2ccccc2)c1.
What is the InChIKey of 1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is BDLUQRJCMGTDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-15(16)13-8-9-17(12-13)10-11-18-14-6-4-3-5-7-14/h3-9,12,15H,2,10-11,16H2,1H3.
What are the key properties of 1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine?
1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79105842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).