3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine

C15H24N2O2 — CID 112509444

IUPAC3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCOc1ccc(CC(CN)N2CCCC2)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-18-14-6-5-12(15(10-14)19-2)9-13(11-16)17-7-3-4-8-17/h5-6,10,13H,3-4,7-9,11,16H2,1-2H3
InChIKeyPQACOUXOZORALT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.67
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine

3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 112509444) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID112509444
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCOc1ccc(CC(CN)N2CCCC2)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-18-14-6-5-12(15(10-14)19-2)9-13(11-16)17-7-3-4-8-17/h5-6,10,13H,3-4,7-9,11,16H2,1-2H3
InChIKeyPQACOUXOZORALT-UHFFFAOYSA-N
XLogP1.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977036
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
3-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974436
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111878723
CID 175393014
CID 175393014
2-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16642914
2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine
CID 112748975
4-(2,4-dimethoxyphenyl)but-2-yn-1-amine
CID 91200946
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83975308
(2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 97180181
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111322654

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine (CID 112509444) is 3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine is COc1ccc(CC(CN)N2CCCC2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is PQACOUXOZORALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-18-14-6-5-12(15(10-14)19-2)9-13(11-16)17-7-3-4-8-17/h5-6,10,13H,3-4,7-9,11,16H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 112509444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).