N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine

C16H22N2 — CID 79098439

IUPACN-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(CCCc2ccccc2)c1
InChIInChI=1S/C16H22N2/c1-14(17-2)16-10-12-18(13-16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,10,12-14,17H,6,9,11H2,1-2H3
InChIKeyCDVTZOLQTRKGFM-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.40
Rot. Bonds6

About N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine

N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine (PubChem CID 79098439) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine
PubChem CID79098439
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine
SMILESCNC(C)c1ccn(CCCc2ccccc2)c1
InChIInChI=1S/C16H22N2/c1-14(17-2)16-10-12-18(13-16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,10,12-14,17H,6,9,11H2,1-2H3
InChIKeyCDVTZOLQTRKGFM-UHFFFAOYSA-N
XLogP3.40
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine (CID 79098439) is N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine is CNC(C)c1ccn(CCCc2ccccc2)c1.
What is the InChIKey of N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine?
The InChIKey is CDVTZOLQTRKGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-14(17-2)16-10-12-18(13-16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,10,12-14,17H,6,9,11H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine?
N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79098439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).