1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine

C13H21N3 — CID 63164363

IUPAC1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(N2CCC(N(C)C)C2)cc1N
InChIInChI=1S/C13H21N3/c1-10-4-5-11(8-13(10)14)16-7-6-12(9-16)15(2)3/h4-5,8,12H,6-7,9,14H2,1-3H3
InChIKeyNPLKTNDJBVPMHN-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.72
Rot. Bonds2

About 1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine

1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63164363) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID63164363
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(N2CCC(N(C)C)C2)cc1N
InChIInChI=1S/C13H21N3/c1-10-4-5-11(8-13(10)14)16-7-6-12(9-16)15(2)3/h4-5,8,12H,6-7,9,14H2,1-3H3
InChIKeyNPLKTNDJBVPMHN-UHFFFAOYSA-N
XLogP1.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine (CID 63164363) is 1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine is Cc1ccc(N2CCC(N(C)C)C2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is NPLKTNDJBVPMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-4-5-11(8-13(10)14)16-7-6-12(9-16)15(2)3/h4-5,8,12H,6-7,9,14H2,1-3H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine?
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 219.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63164363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).