3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine

C13H18N2O — CID 15416661

IUPAC3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine
SMILESCOC1=CCN(N(C)C)C1c1ccccc1
InChIInChI=1S/C13H18N2O/c1-14(2)15-10-9-12(16-3)13(15)11-7-5-4-6-8-11/h4-9,13H,10H2,1-3H3
InChIKeyGHBSGAHOZBLJBV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.05
Rot. Bonds3

About 3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine

3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine (PubChem CID 15416661) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine.

Molecular Properties

Compound Name3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine
PubChem CID15416661
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine
SMILESCOC1=CCN(N(C)C)C1c1ccccc1
InChIInChI=1S/C13H18N2O/c1-14(2)15-10-9-12(16-3)13(15)11-7-5-4-6-8-11/h4-9,13H,10H2,1-3H3
InChIKeyGHBSGAHOZBLJBV-UHFFFAOYSA-N
XLogP2.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine?
The IUPAC name of 3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine (CID 15416661) is 3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine.
What is the SMILES notation for 3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine?
The canonical SMILES for 3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine is COC1=CCN(N(C)C)C1c1ccccc1.
What is the InChIKey of 3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine?
The InChIKey is GHBSGAHOZBLJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14(2)15-10-9-12(16-3)13(15)11-7-5-4-6-8-11/h4-9,13H,10H2,1-3H3.
What are the key properties of 3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine?
3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine has a molecular weight of 218.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine is sourced from PubChem (CID 15416661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).