1-(3-methoxyphenyl)pyrrolidin-3-amine

C11H16N2O — CID 43315493

IUPAC1-(3-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1cccc(N2CCC(N)C2)c1
InChIInChI=1S/C11H16N2O/c1-14-11-4-2-3-10(7-11)13-6-5-9(12)8-13/h2-4,7,9H,5-6,8,12H2,1H3
InChIKeyIWKQMHWIHSGSQK-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.23
Rot. Bonds2

About 1-(3-methoxyphenyl)pyrrolidin-3-amine

1-(3-methoxyphenyl)pyrrolidin-3-amine (PubChem CID 43315493) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)pyrrolidin-3-amine
PubChem CID43315493
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(3-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1cccc(N2CCC(N)C2)c1
InChIInChI=1S/C11H16N2O/c1-14-11-4-2-3-10(7-11)13-6-5-9(12)8-13/h2-4,7,9H,5-6,8,12H2,1H3
InChIKeyIWKQMHWIHSGSQK-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-methoxyphenyl)pyrrolidin-3-amine (CID 43315493) is 1-(3-methoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-methoxyphenyl)pyrrolidin-3-amine is COc1cccc(N2CCC(N)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)pyrrolidin-3-amine?
The InChIKey is IWKQMHWIHSGSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-14-11-4-2-3-10(7-11)13-6-5-9(12)8-13/h2-4,7,9H,5-6,8,12H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)pyrrolidin-3-amine?
1-(3-methoxyphenyl)pyrrolidin-3-amine has a molecular weight of 192.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 43315493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).