[5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

C16H26N2O — CID 117117089

IUPAC[5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOC(C)(C)c1ccccc1C1CC(CN)CN1C
InChIInChI=1S/C16H26N2O/c1-16(2,19-4)14-8-6-5-7-13(14)15-9-12(10-17)11-18(15)3/h5-8,12,15H,9-11,17H2,1-4H3
InChIKeyGSFXHXNLFCIBNH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds4

About [5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117117089) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117117089
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOC(C)(C)c1ccccc1C1CC(CN)CN1C
InChIInChI=1S/C16H26N2O/c1-16(2,19-4)14-8-6-5-7-13(14)15-9-12(10-17)11-18(15)3/h5-8,12,15H,9-11,17H2,1-4H3
InChIKeyGSFXHXNLFCIBNH-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117117089) is [5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is COC(C)(C)c1ccccc1C1CC(CN)CN1C.
What is the InChIKey of [5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is GSFXHXNLFCIBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,19-4)14-8-6-5-7-13(14)15-9-12(10-17)11-18(15)3/h5-8,12,15H,9-11,17H2,1-4H3.
What are the key properties of [5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117117089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).