1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine

C15H25N3O — CID 77241165

IUPAC1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCC(C)Oc1cc(N2CCC(N(C)C)C2)ccc1N
InChIInChI=1S/C15H25N3O/c1-11(2)19-15-9-12(5-6-14(15)16)18-8-7-13(10-18)17(3)4/h5-6,9,11,13H,7-8,10,16H2,1-4H3
InChIKeyGXJUTZXVOUKJMC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.20
Rot. Bonds4

About 1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine

1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 77241165) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID77241165
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCC(C)Oc1cc(N2CCC(N(C)C)C2)ccc1N
InChIInChI=1S/C15H25N3O/c1-11(2)19-15-9-12(5-6-14(15)16)18-8-7-13(10-18)17(3)4/h5-6,9,11,13H,7-8,10,16H2,1-4H3
InChIKeyGXJUTZXVOUKJMC-UHFFFAOYSA-N
XLogP2.20
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine (CID 77241165) is 1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine is CC(C)Oc1cc(N2CCC(N(C)C)C2)ccc1N.
What is the InChIKey of 1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is GXJUTZXVOUKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)19-15-9-12(5-6-14(15)16)18-8-7-13(10-18)17(3)4/h5-6,9,11,13H,7-8,10,16H2,1-4H3.
What are the key properties of 1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine?
1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 263.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 77241165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).