2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H26N2O2 — CID 103532529

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOC1CN(C2CC(C)c3ccccc3C2N)CC1OC
InChIInChI=1S/C17H26N2O2/c1-11-8-14(17(18)13-7-5-4-6-12(11)13)19-9-15(20-2)16(10-19)21-3/h4-7,11,14-17H,8-10,18H2,1-3H3
InChIKeySSVIQPZTLVOBBL-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.91
Rot. Bonds3

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

2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 103532529) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID103532529
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOC1CN(C2CC(C)c3ccccc3C2N)CC1OC
InChIInChI=1S/C17H26N2O2/c1-11-8-14(17(18)13-7-5-4-6-12(11)13)19-9-15(20-2)16(10-19)21-3/h4-7,11,14-17H,8-10,18H2,1-3H3
InChIKeySSVIQPZTLVOBBL-UHFFFAOYSA-N
XLogP1.91
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.91
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-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 103532529) is 2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is COC1CN(C2CC(C)c3ccccc3C2N)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SSVIQPZTLVOBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-8-14(17(18)13-7-5-4-6-12(11)13)19-9-15(20-2)16(10-19)21-3/h4-7,11,14-17H,8-10,18H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 290.41 g/mol, XLogP of 1.91, 3 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-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 103532529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).