N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine

C17H24N2O — CID 79109107

IUPACN-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(NC)c1ccn(CCOc2ccccc2)c1
InChIInChI=1S/C17H24N2O/c1-3-7-17(18-2)15-10-11-19(14-15)12-13-20-16-8-5-4-6-9-16/h4-6,8-11,14,17-18H,3,7,12-13H2,1-2H3
InChIKeyTZDXEIZRLCISFV-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.63
Rot. Bonds8

About N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine

N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine (PubChem CID 79109107) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine
PubChem CID79109107
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(NC)c1ccn(CCOc2ccccc2)c1
InChIInChI=1S/C17H24N2O/c1-3-7-17(18-2)15-10-11-19(14-15)12-13-20-16-8-5-4-6-9-16/h4-6,8-11,14,17-18H,3,7,12-13H2,1-2H3
InChIKeyTZDXEIZRLCISFV-UHFFFAOYSA-N
XLogP3.63
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
CID 112591103
2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
CID 79107966
1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109268
1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine
CID 79105842
N-methyl-1-[1-[(2-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109106
3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109897
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109894
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
ethyl 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetate
CID 79110034
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine
CID 106455332

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine (CID 79109107) is N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine is CCCC(NC)c1ccn(CCOc2ccccc2)c1.
What is the InChIKey of N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine?
The InChIKey is TZDXEIZRLCISFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-7-17(18-2)15-10-11-19(14-15)12-13-20-16-8-5-4-6-9-16/h4-6,8-11,14,17-18H,3,7,12-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine?
N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79109107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).