1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine

C15H24N2O2 — CID 103540626

IUPAC1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCOC1CN(c2ccccc2CC(C)N)CC1OC
InChIInChI=1S/C15H24N2O2/c1-11(16)8-12-6-4-5-7-13(12)17-9-14(18-2)15(10-17)19-3/h4-7,11,14-15H,8-10,16H2,1-3H3
InChIKeyAREVUVOVDAOCJD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine

1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine (PubChem CID 103540626) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine
PubChem CID103540626
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCOC1CN(c2ccccc2CC(C)N)CC1OC
InChIInChI=1S/C15H24N2O2/c1-11(16)8-12-6-4-5-7-13(12)17-9-14(18-2)15(10-17)19-3/h4-7,11,14-15H,8-10,16H2,1-3H3
InChIKeyAREVUVOVDAOCJD-UHFFFAOYSA-N
XLogP1.43
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63785750
1-(2-thiomorpholin-4-ylphenyl)propan-2-amine
CID 63787448
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine
CID 63817266
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535965
4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one
CID 117371658
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine
CID 79924766
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine
CID 103534523
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794357
(3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol
CID 129359591
[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 114016674
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66371244
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine (CID 103540626) is 1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine is COC1CN(c2ccccc2CC(C)N)CC1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine?
The InChIKey is AREVUVOVDAOCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(16)8-12-6-4-5-7-13(12)17-9-14(18-2)15(10-17)19-3/h4-7,11,14-15H,8-10,16H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine?
1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 103540626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).