N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine

C13H18N2O — CID 123142528

IUPACN-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine
SMILESC=C(OC)c1ccc(NC2CCNC2)cc1
InChIInChI=1S/C13H18N2O/c1-10(16-2)11-3-5-12(6-4-11)15-13-7-8-14-9-13/h3-6,13-15H,1,7-9H2,2H3
InChIKeyGKDWUEZZRAEEFI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.08
Rot. Bonds4

About N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine

N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine (PubChem CID 123142528) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine
PubChem CID123142528
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine
SMILESC=C(OC)c1ccc(NC2CCNC2)cc1
InChIInChI=1S/C13H18N2O/c1-10(16-2)11-3-5-12(6-4-11)15-13-7-8-14-9-13/h3-6,13-15H,1,7-9H2,2H3
InChIKeyGKDWUEZZRAEEFI-UHFFFAOYSA-N
XLogP2.08
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine (CID 123142528) is N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine is C=C(OC)c1ccc(NC2CCNC2)cc1.
What is the InChIKey of N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine?
The InChIKey is GKDWUEZZRAEEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(16-2)11-3-5-12(6-4-11)15-13-7-8-14-9-13/h3-6,13-15H,1,7-9H2,2H3.
What are the key properties of N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine?
N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine has a molecular weight of 218.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methoxyethenyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 123142528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).