2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine

C17H28N2O2 — CID 103531767

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine
SMILESCOC1CN(C(CN)CC(C)c2ccccc2)CC1OC
InChIInChI=1S/C17H28N2O2/c1-13(14-7-5-4-6-8-14)9-15(10-18)19-11-16(20-2)17(12-19)21-3/h4-8,13,15-17H,9-12,18H2,1-3H3
InChIKeySLXUHZXGFORMSO-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.85
Rot. Bonds7

About 2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine

2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine (PubChem CID 103531767) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine
PubChem CID103531767
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine
SMILESCOC1CN(C(CN)CC(C)c2ccccc2)CC1OC
InChIInChI=1S/C17H28N2O2/c1-13(14-7-5-4-6-8-14)9-15(10-18)19-11-16(20-2)17(12-19)21-3/h4-8,13,15-17H,9-12,18H2,1-3H3
InChIKeySLXUHZXGFORMSO-UHFFFAOYSA-N
XLogP1.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine (CID 103531767) is 2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine is COC1CN(C(CN)CC(C)c2ccccc2)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine?
The InChIKey is SLXUHZXGFORMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(14-7-5-4-6-8-14)9-15(10-18)19-11-16(20-2)17(12-19)21-3/h4-8,13,15-17H,9-12,18H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine?
2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-4-phenylpentan-1-amine is sourced from PubChem (CID 103531767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).