N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine

C16H24N2O2 — CID 103535965

IUPACN-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCOC1CN(c2ccccc2CNC2CC2)CC1OC
InChIInChI=1S/C16H24N2O2/c1-19-15-10-18(11-16(15)20-2)14-6-4-3-5-12(14)9-17-13-7-8-13/h3-6,13,15-17H,7-11H2,1-2H3
InChIKeyXNPFDMMHHRASRM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds6

About N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 103535965) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID103535965
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCOC1CN(c2ccccc2CNC2CC2)CC1OC
InChIInChI=1S/C16H24N2O2/c1-19-15-10-18(11-16(15)20-2)14-6-4-3-5-12(14)9-17-13-7-8-13/h3-6,13,15-17H,7-11H2,1-2H3
InChIKeyXNPFDMMHHRASRM-UHFFFAOYSA-N
XLogP1.79
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine (CID 103535965) is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine is COC1CN(c2ccccc2CNC2CC2)CC1OC.
What is the InChIKey of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is XNPFDMMHHRASRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-15-10-18(11-16(15)20-2)14-6-4-3-5-12(14)9-17-13-7-8-13/h3-6,13,15-17H,7-11H2,1-2H3.
What are the key properties of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 276.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 103535965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).