3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine

C15H24N2O — CID 103538996

IUPAC3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
SMILESCOC1CCN(CCC(N)c2ccccc2C)C1
InChIInChI=1S/C15H24N2O/c1-12-5-3-4-6-14(12)15(16)8-10-17-9-7-13(11-17)18-2/h3-6,13,15H,7-11,16H2,1-2H3
InChIKeyWRYJOFXZTLTARE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds5

About 3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine

3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine (PubChem CID 103538996) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
PubChem CID103538996
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
SMILESCOC1CCN(CCC(N)c2ccccc2C)C1
InChIInChI=1S/C15H24N2O/c1-12-5-3-4-6-14(12)15(16)8-10-17-9-7-13(11-17)18-2/h3-6,13,15H,7-11,16H2,1-2H3
InChIKeyWRYJOFXZTLTARE-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol
CID 114681980
1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775535
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline
CID 103540070
3-(4-tert-butylpiperazin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 62625581
1-(2-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103538884
1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967295
1-(2-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62630612
1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62643809
1-(2-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965644
[1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol
CID 62629452
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine (CID 103538996) is 3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine is COC1CCN(CCC(N)c2ccccc2C)C1.
What is the InChIKey of 3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine?
The InChIKey is WRYJOFXZTLTARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-3-4-6-14(12)15(16)8-10-17-9-7-13(11-17)18-2/h3-6,13,15H,7-11,16H2,1-2H3.
What are the key properties of 3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine?
3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 103538996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).