N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine

C17H28N2O — CID 103539682

IUPACN-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine
SMILESCOC1CCN(C(CNC(C)(C)C)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-12-16(14-8-6-5-7-9-14)19-11-10-15(13-19)20-4/h5-9,15-16,18H,10-13H2,1-4H3
InChIKeyNCJYEWVZNPYYQB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds5

About N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine

N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine (PubChem CID 103539682) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine
PubChem CID103539682
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine
SMILESCOC1CCN(C(CNC(C)(C)C)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-12-16(14-8-6-5-7-9-14)19-11-10-15(13-19)20-4/h5-9,15-16,18H,10-13H2,1-4H3
InChIKeyNCJYEWVZNPYYQB-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine (CID 103539682) is N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine is COC1CCN(C(CNC(C)(C)C)c2ccccc2)C1.
What is the InChIKey of N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine?
The InChIKey is NCJYEWVZNPYYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)18-12-16(14-8-6-5-7-9-14)19-11-10-15(13-19)20-4/h5-9,15-16,18H,10-13H2,1-4H3.
What are the key properties of N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine?
N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103539682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).