2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine

C16H26N2 — CID 117017552

IUPAC2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine
SMILESCC1(C)C(CCN)CCN1CCc1ccccc1
InChIInChI=1S/C16H26N2/c1-16(2)15(8-11-17)10-13-18(16)12-9-14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3
InChIKeyCEMYUFIIAADBCE-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.68
Rot. Bonds5

About 2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine

2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine (PubChem CID 117017552) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine
PubChem CID117017552
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine
SMILESCC1(C)C(CCN)CCN1CCc1ccccc1
InChIInChI=1S/C16H26N2/c1-16(2)15(8-11-17)10-13-18(16)12-9-14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3
InChIKeyCEMYUFIIAADBCE-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine (CID 117017552) is 2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine is CC1(C)C(CCN)CCN1CCc1ccccc1.
What is the InChIKey of 2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is CEMYUFIIAADBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2)15(8-11-17)10-13-18(16)12-9-14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3.
What are the key properties of 2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine?
2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 117017552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).