N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine

C16H26N2 — CID 79184325

IUPACN-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN1CC(C)C(C)C1
InChIInChI=1S/C16H26N2/c1-4-17-9-15-7-5-6-8-16(15)12-18-10-13(2)14(3)11-18/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyNYRCYSAAIVEFIR-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.88
Rot. Bonds5

About N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine

N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 79184325) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID79184325
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN1CC(C)C(C)C1
InChIInChI=1S/C16H26N2/c1-4-17-9-15-7-5-6-8-16(15)12-18-10-13(2)14(3)11-18/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyNYRCYSAAIVEFIR-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine (CID 79184325) is N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1CN1CC(C)C(C)C1.
What is the InChIKey of N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is NYRCYSAAIVEFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-17-9-15-7-5-6-8-16(15)12-18-10-13(2)14(3)11-18/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 79184325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).