N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine

C16H22N2 — CID 79102162

IUPACN-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CCc1ccccc1
InChIInChI=1S/C16H22N2/c1-3-17-14(2)16-10-7-12-18(16)13-11-15-8-5-4-6-9-15/h4-10,12,14,17H,3,11,13H2,1-2H3
InChIKeyKCMNXVXYZBQTSG-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.40
Rot. Bonds6

About N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine

N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine (PubChem CID 79102162) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
PubChem CID79102162
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CCc1ccccc1
InChIInChI=1S/C16H22N2/c1-3-17-14(2)16-10-7-12-18(16)13-11-15-8-5-4-6-9-15/h4-10,12,14,17H,3,11,13H2,1-2H3
InChIKeyKCMNXVXYZBQTSG-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-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine (CID 79102162) is N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine is CCNC(C)c1cccn1CCc1ccccc1.
What is the InChIKey of N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine?
The InChIKey is KCMNXVXYZBQTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-17-14(2)16-10-7-12-18(16)13-11-15-8-5-4-6-9-15/h4-10,12,14,17H,3,11,13H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine?
N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-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-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).