4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine

C12H18N2O — CID 82395877

IUPAC4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine
SMILESCOc1ccccc1C1CN(C)CC1N
InChIInChI=1S/C12H18N2O/c1-14-7-10(11(13)8-14)9-5-3-4-6-12(9)15-2/h3-6,10-11H,7-8,13H2,1-2H3
InChIKeyRBSOSCGVVTWKBK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.05
Rot. Bonds2

About 4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine

4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine (PubChem CID 82395877) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine
PubChem CID82395877
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine
SMILESCOc1ccccc1C1CN(C)CC1N
InChIInChI=1S/C12H18N2O/c1-14-7-10(11(13)8-14)9-5-3-4-6-12(9)15-2/h3-6,10-11H,7-8,13H2,1-2H3
InChIKeyRBSOSCGVVTWKBK-UHFFFAOYSA-N
XLogP1.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine (CID 82395877) is 4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine is COc1ccccc1C1CN(C)CC1N.
What is the InChIKey of 4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is RBSOSCGVVTWKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-10(11(13)8-14)9-5-3-4-6-12(9)15-2/h3-6,10-11H,7-8,13H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine?
4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 82395877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).