2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine

C16H26N2 — CID 83218867

IUPAC2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
SMILESCCC1CCC(C)N1Cc1ccccc1CCN
InChIInChI=1S/C16H26N2/c1-3-16-9-8-13(2)18(16)12-15-7-5-4-6-14(15)10-11-17/h4-7,13,16H,3,8-12,17H2,1-2H3
InChIKeyNPCKHWOQOZLWJI-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.95
Rot. Bonds5

About 2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine

2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine (PubChem CID 83218867) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
PubChem CID83218867
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
SMILESCCC1CCC(C)N1Cc1ccccc1CCN
InChIInChI=1S/C16H26N2/c1-3-16-9-8-13(2)18(16)12-15-7-5-4-6-14(15)10-11-17/h4-7,13,16H,3,8-12,17H2,1-2H3
InChIKeyNPCKHWOQOZLWJI-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine (CID 83218867) is 2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine is CCC1CCC(C)N1Cc1ccccc1CCN.
What is the InChIKey of 2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine?
The InChIKey is NPCKHWOQOZLWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-16-9-8-13(2)18(16)12-15-7-5-4-6-14(15)10-11-17/h4-7,13,16H,3,8-12,17H2,1-2H3.
What are the key properties of 2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine?
2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 83218867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).